(3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol
TL;DR: (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol (CAS 110945-69-2) is a chemical compound with molecular formula C28H42O4 and molecular weight 442.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,6S,9S,11R,13S,15S,16S,17S,19S,21S)-6,21-dimethyl-21-(4-methyl-3-methylidenepentyl)-14,18,20-trioxaheptacyclo[15.4.1.02,16.02,19.05,15.06,11.013,15]docosan-9-ol
Also Known As: Paxisterol, (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol, 7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol (3beta,5alpha,7beta,15beta,18S)-, (1S,5R,6S,9S,11R,13S,15S,16S,17S,19S,21S)-6,21-dimethyl-21-(4-methyl-3-methylidenepentyl)-14,18,20-trioxaheptacyclo[15.4.1.02,16.02,19.05,15.06,11.013,15]docosan-9-ol, Ergost-24(28)-en-3-ol, 7,8:15,18:18,20-triepoxy-, (3beta,5alpha,7beta,15beta,18S)-
| Molecular Formula | C28H42O4 |
|---|---|
| Molecular Weight | 442.31 g/mol |
| LogP | 5.2337 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.30832 |
| Heavy Atoms | 32 |
| Complexity | 854.3704 |
Chemical Identifiers
| CAS Number | 110945-69-2 |
|---|---|
| SMILES | CC(C)C(=C)CC[C@]1([C@H]2C[C@H]3[C@@H]4C2(CC[C@H]5[C@@]46[C@@H](O6)C[C@@H]7[C@@]5(CC[C@@H](C7)O)C)[C@@H](O3)O1)C |
Product Overview
(3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol (CAS 110945-69-2), with molecular formula C28H42O4 and molecular weight 442.31 g/mol. IUPAC: (1S,5R,6S,9S,11R,13S,15S,16S,17S,19S,21S)-6,21-dimethyl-21-(4-methyl-3-methylidenepentyl)-14,18,20-trioxaheptacyclo[15.4.1.02,16.02,19.05,15.06,11.013,15]docosan-9-ol.
Chemical Property Profile of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol
Property Insights of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol
The XLogP value of 5.2337 indicates that (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol?
The CAS number of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol is 110945-69-2.
What is the molecular formula of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol?
The molecular formula of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol is C28H42O4.
What is the molecular weight of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol?
The molecular weight of (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol is 442.31 g/mol.
Where can I buy (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol?
You can request a quote for (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,5alpha,7beta,15beta,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.