2α,3α-二羟基齐墩果-12-烯-28-酸
TL;DR: 2α,3α-二羟基齐墩果-12-烯-28-酸 (CAS 26563-68-8) 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.
2α,3α-二羟基齐墩果-12-烯-28-酸
(4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Maslinic acid, 3-epimaslinic acid, 2alpha,3alpha-Dihydroxyolean-12-en-28-oic acid, 2,3-Dihydroxy-12-oleanen-28-oicacid, 2,3-Dihydroxy-12-oleanen-28-oic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.5 |
| 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 | 919.0 |
Chemical Identifiers
| CAS Number | 26563-68-8 |
|---|---|
| SMILES | C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@H](C3(C)C)O)O)C |
| InChIKey | MDZKJHQSJHYOHJ-LJJNEPIXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2α,3α-二羟基齐墩果-12-烯-28-酸 (CAS 26563-68-8), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 2α,3α-二羟基齐墩果-12-烯-28-酸
Property Insights of 2α,3α-二羟基齐墩果-12-烯-28-酸
The XLogP value of 6.5 indicates that 2α,3α-二羟基齐墩果-12-烯-28-酸 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 2α,3α-二羟基齐墩果-12-烯-28-酸. Following Lipinski's Rule of Five, 2α,3α-二羟基齐墩果-12-烯-28-酸 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 2α,3α-二羟基齐墩果-12-烯-28-酸?
The CAS number of 2α,3α-二羟基齐墩果-12-烯-28-酸 is 26563-68-8.
What is the molecular formula of 2α,3α-二羟基齐墩果-12-烯-28-酸?
The molecular formula of 2α,3α-二羟基齐墩果-12-烯-28-酸 is C30H48O4.
What is the molecular weight of 2α,3α-二羟基齐墩果-12-烯-28-酸?
The molecular weight of 2α,3α-二羟基齐墩果-12-烯-28-酸 is 472.36 g/mol.
Where can I buy 2α,3α-二羟基齐墩果-12-烯-28-酸?
You can request a quote for 2α,3α-二羟基齐墩果-12-烯-28-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2α,3α-二羟基齐墩果-12-烯-28-酸?
Yes, KEHONG BIO provides custom synthesis services for 2α,3α-二羟基齐墩果-12-烯-28-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.