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[2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate structure
Fine Chemical

[2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate

TL;DR: [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate (CAS 126145-76-4) is a chemical compound with molecular formula C70H105N3O18 and molecular weight 1275.7393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate

Also Known As: [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate|alpha-D-Glucopyranosiduronamide, (3-beta,20-beta)-29-(cyclohexylamino)-11,29-dioxoolean-12-en-3-yl N-cyclohexyl-2-O-(2,3,4-tri-O-acetyl-N-cyclohexyl-beta-D-glucopyranuronamidosyl)-, 3,4-diacetate|(2R,3R,4S,5S,6S)-2-(((2S,3R,4S,5S,6S)-4,5-diacetoxy-6-(heptadecylcarbamoyl)-2-(((3S,6aR,6bS,8aS,11S,14bS)-11-(heptadecylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(heptadecylcarbamoyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate|BRN 4289657

CAS Number
126145-76-4
Molecular Formula
C70H105N3O18
Molecular Weight
1275.7393 g/mol
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Technical Specifications

Molecular FormulaC70H105N3O18
Molecular Weight1275.7393 g/mol
XLogP10.2
Topological Polar Surface Area (TPSA)273.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors18
Rotatable Bonds20
Exact Mass1275.7393 Da
Heavy Atoms91
Complexity2810.0
SMILESCC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)NC2CCCCC2)OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5C(=O)C=C7C6(CCC8(C7CC(CC8)(C)C(=O)NC9CCCCC9)C)C)C)C)C(=O)NC1CCCCC1)OC(=O)C)OC(=O)C
InChIKeyDETZTCMXJLATJH-UHFFFAOYSA-N

Chemical Property Profile of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate

XLogP
10.2
TPSA (Topological Polar Surface Area)
273.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
18
Rotatable Bonds
20
Heavy Atoms
91
Complexity
2810.0
Exact Mass
1275.7393
Monoisotopic Mass
1275.7393
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate

The XLogP value of 10.2 indicates that [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 273.0 Ų indicates high polarity, suggesting [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate?

The CAS number of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate is 126145-76-4.

What is the molecular formula of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate?

The molecular formula of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate is C70H105N3O18.

What is the molecular weight of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate?

The molecular weight of [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate is 1275.7393 g/mol.

Where can I buy [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate?

You can request a quote for [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate?

Yes, CoreyChem provides custom synthesis services for [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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Need [2,3-diacetyloxy-6-(cyclohexylcarbamoyl)-5-[4,5-diacetyloxy-6-(cyclohexylcarbamoyl)-2-[[11-(cyclohexylcarbamoyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]oxan-3-yl]oxyoxan-4-yl] acetate?

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