雷公藤三萜酸A
TL;DR: 雷公藤三萜酸A (CAS 100897-87-8) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雷公藤三萜酸A
(4S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Also Known As: Triptotriterpenic acid A, 3,22-Dihydroxyolean-12-en-29-oic acid, 3beta,22alpha-dihydroxyolean-12-en-29-oic acid, (4S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid, Olean-12-en-29-oic acid, 3,22-dihydroxy-, (3beta,22alpha)-
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 100897-87-8 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@@H]5O)(C)C(=O)O)C)C)C)(C)C)O |
| InChIKey | JTBGJQZJEYVBJZ-NRTDWLMYSA-N |
Product Overview
雷公藤三萜酸A (CAS 100897-87-8), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (4S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid.
Chemical Property Profile of 雷公藤三萜酸A
Property Insights of 雷公藤三萜酸A
The XLogP value of 6.1 indicates that 雷公藤三萜酸A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 雷公藤三萜酸A. Following Lipinski's Rule of Five, 雷公藤三萜酸A has 3 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 雷公藤三萜酸A?
The CAS number of 雷公藤三萜酸A is 100897-87-8.
What is the molecular formula of 雷公藤三萜酸A?
The molecular formula of 雷公藤三萜酸A is C30H48O4.
What is the molecular weight of 雷公藤三萜酸A?
The molecular weight of 雷公藤三萜酸A is 472.36 g/mol.
Where can I buy 雷公藤三萜酸A?
You can request a quote for 雷公藤三萜酸A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雷公藤三萜酸A?
Yes, KEHONG BIO provides custom synthesis services for 雷公藤三萜酸A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.