8,11,13-Abietatrien-3-ol
TL;DR: 8,11,13-Abietatrien-3-ol (CAS 78078-41-8) is a chemical compound with molecular formula C20H30O and molecular weight 286.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
Also Known As: A-ol, 8,11,13-Abietatrien-3-ol, NCI60_015827, (2S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol, (2S,4aS)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
| Molecular Formula | C20H30O |
|---|---|
| Molecular Weight | 286.23 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.22968 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 78078-41-8 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CC[C@@H](C(C3CC2)(C)C)O)C |
| InChIKey | WTHUMSLQUHCWCH-AQCCAAQSSA-N |
Product Overview
8,11,13-Abietatrien-3-ol (CAS 78078-41-8), with molecular formula C20H30O and molecular weight 286.23 g/mol. IUPAC: (2S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol.
Chemical Property Profile of 8,11,13-Abietatrien-3-ol
Property Insights of 8,11,13-Abietatrien-3-ol
The XLogP value of 5.5 indicates that 8,11,13-Abietatrien-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 8,11,13-Abietatrien-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,11,13-Abietatrien-3-ol 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 8,11,13-Abietatrien-3-ol?
The CAS number of 8,11,13-Abietatrien-3-ol is 78078-41-8.
What is the molecular formula of 8,11,13-Abietatrien-3-ol?
The molecular formula of 8,11,13-Abietatrien-3-ol is C20H30O.
What is the molecular weight of 8,11,13-Abietatrien-3-ol?
The molecular weight of 8,11,13-Abietatrien-3-ol is 286.23 g/mol.
Where can I buy 8,11,13-Abietatrien-3-ol?
You can request a quote for 8,11,13-Abietatrien-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,11,13-Abietatrien-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 8,11,13-Abietatrien-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.