3-Epimoretenol
TL;DR: 3-Epimoretenol (CAS 18610-71-4) is a chemical compound with molecular formula C30H50O and molecular weight 426.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
Also Known As: 3-Epimoretenol, 3-Epi-Moretenol, Hop-22(29)-en-3.beta.-ol, (21beta)-A/'-Neogammacer-22(29)-en-3alpha-ol, 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 18610-71-4 |
|---|---|
| SMILES | CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C |
| InChIKey | LFPVZIIPFONRSW-UHFFFAOYSA-N |
Product Overview
3-Epimoretenol (CAS 18610-71-4), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol.
Chemical Property Profile of 3-Epimoretenol
Property Insights of 3-Epimoretenol
The XLogP value of 9.9 indicates that 3-Epimoretenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Epimoretenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Epimoretenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Epimoretenol?
The CAS number of 3-Epimoretenol is 18610-71-4.
What is the molecular formula of 3-Epimoretenol?
The molecular formula of 3-Epimoretenol is C30H50O.
What is the molecular weight of 3-Epimoretenol?
The molecular weight of 3-Epimoretenol is 426.39 g/mol.
Where can I buy 3-Epimoretenol?
You can request a quote for 3-Epimoretenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Epimoretenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Epimoretenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.