A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester
TL;DR: A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester (CAS 5573-15-9) is a chemical compound with molecular formula C31H46O3 and molecular weight 466.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5aR,5bS,7aS,10S,11aS,13aR,13bR)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-propan-2-yl-2,4,5,6,7,8,9,11,11a,13a-decahydro-1H-cyclopenta[a]chrysene-10-carboxylate
Also Known As: Norerythrostachaldine, Methyl 11-oxo-18-alpha-A-neo-oleana-3,12-dien-30-oate, A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester, Methyl 11-oxo-18-.alpha.-A-neo-oleana-3,12-dien-30-oate, A-Neooleana-3(5),12-dien-30-oic acid, 11-oxo-, methyl ester
| Molecular Formula | C31H46O3 |
|---|---|
| Molecular Weight | 466.34 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.3447 |
| Heavy Atoms | 34 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 5573-15-9 |
|---|---|
| SMILES | CC(C)C1=C2CC[C@@]3([C@@H]([C@]2(CC1)C)C(=O)C=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(C)C(=O)OC)C)C)C |
| InChIKey | KLDHTSBPVUVXQQ-SBSPXKCJSA-N |
Product Overview
A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester (CAS 5573-15-9), with molecular formula C31H46O3 and molecular weight 466.34 g/mol. IUPAC: methyl (5aR,5bS,7aS,10S,11aS,13aR,13bR)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-propan-2-yl-2,4,5,6,7,8,9,11,11a,13a-decahydro-1H-cyclopenta[a]chrysene-10-carboxylate.
Chemical Property Profile of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester
Property Insights of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester
The XLogP value of 6.8 indicates that A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester?
The CAS number of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester is 5573-15-9.
What is the molecular formula of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester?
The molecular formula of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester is C31H46O3.
What is the molecular weight of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester?
The molecular weight of A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester is 466.34 g/mol.
Where can I buy A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester?
You can request a quote for A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.