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(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol structure
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(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

TL;DR: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol (CAS 105558-26-7) is a chemical compound with molecular formula C36H60O7 and molecular weight 604.4339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

Also Known As: (2R,3R,4S,5S,6R)-2-{[(1S,3aS,3bR,9aR,11S,11aR)-11-hydroxy-3a,3b,6,6,9a-pentamethyl-1-[(2Z)-6-methylhepta-2,5-dien-2-yl]-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Number
105558-26-7
Molecular Formula
C36H60O7
Molecular Weight
604.4339 g/mol
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Technical Specifications

Molecular FormulaC36H60O7
Molecular Weight604.4339 g/mol
XLogP7.0
Topological Polar Surface Area (TPSA)120.0 Ų
Hydrogen Bond Donors5
Hydrogen Bond Acceptors7
Rotatable Bonds6
Exact Mass604.4339 Da
Heavy Atoms43
Complexity1080.0
SMILESCC(=CCC=C(C)[C@H]1CC[C@]2([C@@H]1[C@H](CC3[C@]2(CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)C
InChIKeyPHLXREOMFNVWOH-BFQAMDAWSA-N

Chemical Property Profile of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

XLogP
7.0
TPSA (Topological Polar Surface Area)
120.0
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
7
Rotatable Bonds
6
Heavy Atoms
43
Complexity
1080.0
Exact Mass
604.4339
Monoisotopic Mass
604.4339
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 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

The XLogP value of 7.0 indicates that (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol. Following Lipinski's Rule of Five, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol?

The CAS number of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol is 105558-26-7.

What is the molecular formula of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol?

The molecular formula of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol is C36H60O7.

What is the molecular weight of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol?

The molecular weight of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol is 604.4339 g/mol.

Where can I buy (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol?

You can request a quote for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol?

Yes, CoreyChem provides custom synthesis services for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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Need (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol?

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