Macedonic acid methyl ester
TL;DR: Macedonic acid methyl ester (CAS 38987-84-7) is a chemical compound with molecular formula C31H48O4 and molecular weight 484.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R,4aS,6aR,6aS,6bR,8aR,10S,12aS)-3,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate
Also Known As: Macedonic acid methyl ester, Oleana-11,13(18)-dien-29-oic acid, 3,21-dihydroxy-, methyl ester, (3beta,20alpha,21alpha)-, methyl (2S,3R,4aS,6aR,6aS,6bR,8aR,10S,12aS)-3,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate, Methyl 3beta,21alpha-dihydroxyoleana-11,13(18)-dien-29-oate, RefChem:154940
| Molecular Formula | C31H48O4 |
|---|---|
| Molecular Weight | 484.36 g/mol |
| LogP | 6.2129 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 993.9422 |
Chemical Identifiers
| CAS Number | 38987-84-7 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3(C(=C1C[C@]([C@@H](C2)O)(C)C(=O)OC)C=C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C |
Product Overview
Macedonic acid methyl ester (CAS 38987-84-7), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: methyl (2S,3R,4aS,6aR,6aS,6bR,8aR,10S,12aS)-3,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate.
Chemical Property Profile of Macedonic acid methyl ester
Property Insights of Macedonic acid methyl ester
The XLogP value of 6.2129 indicates that Macedonic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Macedonic acid methyl ester. Following Lipinski's Rule of Five, Macedonic acid methyl ester has 2 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 Macedonic acid methyl ester?
The CAS number of Macedonic acid methyl ester is 38987-84-7.
What is the molecular formula of Macedonic acid methyl ester?
The molecular formula of Macedonic acid methyl ester is C31H48O4.
What is the molecular weight of Macedonic acid methyl ester?
The molecular weight of Macedonic acid methyl ester is 484.36 g/mol.
Where can I buy Macedonic acid methyl ester?
You can request a quote for Macedonic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macedonic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Macedonic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.