Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate
TL;DR: Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate (CAS 1721-57-9) is a chemical compound with molecular formula C33H52O4 and molecular weight 512.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Methyl oleanolate acetate, Oleanolic acid acetate methyl ester, Oleanolic acid methyl ester acetate, Methyl 3-(acetyloxy)olean-12-en-28-oate #, Olean-12-en-28-oic acid, 3.beta.-hydroxy-, methyl ester, acetate
| Molecular Formula | C33H52O4 |
|---|---|
| Molecular Weight | 512.39 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.38654 |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 1721-57-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C |
| InChIKey | VTZCFEUQVQTSSV-UHFFFAOYSA-N |
Product Overview
Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate (CAS 1721-57-9), with molecular formula C33H52O4 and molecular weight 512.39 g/mol. IUPAC: methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate
Property Insights of Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate
The XLogP value of 8.4 indicates that Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate has 0 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 Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate?
The CAS number of Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate is 1721-57-9.
What is the molecular formula of Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate?
The molecular formula of Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate is C33H52O4.
What is the molecular weight of Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate?
The molecular weight of Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate is 512.39 g/mol.
Where can I buy Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate?
You can request a quote for Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate?
Yes, KEHONG BIO provides custom synthesis services for Olean-12-en-28-oic acid, 3beta-hydroxy-, methyl ester, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.