雷公藤三萜酸B
TL;DR: 雷公藤三萜酸B (CAS 128301-32-6) 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B
(2R,4R,4aR,6aR,6aS,6bR,10S,12aR,14bR)-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 B, Triptotriterpenic acid A, KST-1A1564, 3,22-Dihydroxy-delta(12)-oleanen-29-oic acid, (2R,4R,4aR,6aR,6aS,6bR,10S,12aR,14bR)-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
| 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 | 128301-32-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](C[C@H]5O)(C)C(=O)O)C)C)C)(C)C)O |
| InChIKey | JTBGJQZJEYVBJZ-GRFRUCBCSA-N |
Product Overview
雷公藤三萜酸B (CAS 128301-32-6), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (2R,4R,4aR,6aR,6aS,6bR,10S,12aR,14bR)-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B
Property Insights of 雷公藤三萜酸B
The XLogP value of 6.1 indicates that 雷公藤三萜酸B 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B. Following Lipinski's Rule of Five, 雷公藤三萜酸B 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B?
The CAS number of 雷公藤三萜酸B is 128301-32-6.
What is the molecular formula of 雷公藤三萜酸B?
The molecular formula of 雷公藤三萜酸B is C30H48O4.
What is the molecular weight of 雷公藤三萜酸B?
The molecular weight of 雷公藤三萜酸B is 472.36 g/mol.
Where can I buy 雷公藤三萜酸B?
You can request a quote for 雷公藤三萜酸B 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B?
Yes, KEHONG BIO provides custom synthesis services for 雷公藤三萜酸B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.