灵芝醇A
TL;DR: 灵芝醇A (CAS 104700-97-2) is a chemical compound with molecular formula C30H46O2 and molecular weight 438.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
灵芝醇A
(10S,13R,14R,17S)-17-[(2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: (1S,3aR,9aS,11aR)-1-[(2R,5E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-7-one
| Molecular Formula | C30H46O2 |
|---|---|
| Molecular Weight | 438.35 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.3498 |
| Heavy Atoms | 32 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 104700-97-2 |
|---|---|
| SMILES | C[C@H](CCC=C(C)CO)[C@@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C |
| InChIKey | QWFPQDGDUOGOJF-CYGBDBSBSA-N |
Product Overview
灵芝醇A (CAS 104700-97-2), with molecular formula C30H46O2 and molecular weight 438.35 g/mol. IUPAC: (10S,13R,14R,17S)-17-[(2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 灵芝醇A
Property Insights of 灵芝醇A
The XLogP value of 7.1 indicates that 灵芝醇A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 灵芝醇A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 灵芝醇A has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 灵芝醇A?
The CAS number of 灵芝醇A is 104700-97-2.
What is the molecular formula of 灵芝醇A?
The molecular formula of 灵芝醇A is C30H46O2.
What is the molecular weight of 灵芝醇A?
The molecular weight of 灵芝醇A is 438.35 g/mol.
Where can I buy 灵芝醇A?
You can request a quote for 灵芝醇A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 灵芝醇A?
Yes, KEHONG BIO provides custom synthesis services for 灵芝醇A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.