Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate
TL;DR: Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate (CAS 33668-52-9) is a chemical compound with molecular formula C33H50O5 and molecular weight 526.37 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-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Also Known As: methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate, methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
| Molecular Formula | C33H50O5 |
|---|---|
| Molecular Weight | 526.37 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.36584 |
| Heavy Atoms | 38 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 33668-52-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(C(=O)C5)(C)C)C(=O)OC)C)C)C |
| InChIKey | OXDBEQMWGSNEMX-UHFFFAOYSA-N |
Product Overview
Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate (CAS 33668-52-9), with molecular formula C33H50O5 and molecular weight 526.37 g/mol. IUPAC: methyl 10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate.
Chemical Property Profile of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate
Property Insights of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate
The XLogP value of 6.7 indicates that Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate. Following Lipinski's Rule of Five, Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate?
The CAS number of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate is 33668-52-9.
What is the molecular formula of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate?
The molecular formula of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate is C33H50O5.
What is the molecular weight of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate?
The molecular weight of Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate is 526.37 g/mol.
Where can I buy Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate?
You can request a quote for Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(acetyloxy)-21-oxoolean-12-en-28-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.