Octahydromezerein
TL;DR: Octahydromezerein (CAS 145680-57-5) is a chemical compound with molecular formula C38H46O10 and molecular weight 662.3091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-propan-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] 5-phenylpentanoate
Also Known As: Octahydromezerein, Daphnetoxin, 1,2,15,16-tetrahydro-12-((1-oxo-5-phenylpentyl)oxy)-, [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-propan-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] 5-phenylpentanoate, 5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-6-oxo-2-phenyl-10a-(propan-2-yl)dodecahydro-3bh-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl 5-phenylpentanoate, 5,5a-Dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-6-oxo-2-phenyl-10a-(propan-2-yl)dodecahydro-2H,3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl 5-phenylpentanoate
Technical Specifications
| Molecular Formula | C38H46O10 |
| Molecular Weight | 662.3091 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 662.3091 Da |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
| SMILES | CC1CC2C34C(C(C5(C(C3C6C(O6)(C(C2(C1=O)O)O)CO)OC(O4)(O5)C7=CC=CC=C7)C(C)C)OC(=O)CCCCC8=CC=CC=C8)C |
| InChIKey | PXVGITCSLQQEDI-UHFFFAOYSA-N |
Chemical Property Profile of Octahydromezerein
Property Insights of Octahydromezerein
The XLogP value of 4.1 indicates that Octahydromezerein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Octahydromezerein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octahydromezerein has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octahydromezerein?
The CAS number of Octahydromezerein is 145680-57-5.
What is the molecular formula of Octahydromezerein?
The molecular formula of Octahydromezerein is C38H46O10.
What is the molecular weight of Octahydromezerein?
The molecular weight of Octahydromezerein is 662.3091 g/mol.
Where can I buy Octahydromezerein?
You can request a quote for Octahydromezerein directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octahydromezerein?
Yes, CoreyChem provides custom synthesis services for Octahydromezerein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.