Triptotriterpenic acid A
TL;DR: Triptotriterpenic acid 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.
(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
Triptotriterpenic acid 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 Triptotriterpenic acid A
Property Insights of Triptotriterpenic acid A
The XLogP value of 6.1 indicates that Triptotriterpenic acid 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 Triptotriterpenic acid A. Following Lipinski's Rule of Five, Triptotriterpenic acid 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 Triptotriterpenic acid A?
The CAS number of Triptotriterpenic acid A is 100897-87-8.
What is the molecular formula of Triptotriterpenic acid A?
The molecular formula of Triptotriterpenic acid A is C30H48O4.
What is the molecular weight of Triptotriterpenic acid A?
The molecular weight of Triptotriterpenic acid A is 472.36 g/mol.
Where can I buy Triptotriterpenic acid A?
You can request a quote for Triptotriterpenic acid A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triptotriterpenic acid A?
Yes, KEHONG BIO provides custom synthesis services for Triptotriterpenic acid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.