Myriceron caffeoyl ester
TL;DR: Myriceron caffeoyl ester (CAS 142877-49-4) is a chemical compound with molecular formula C39H52O7 and molecular weight 632.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aR,6bR,8aR,12aR,14bS)-6a-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Also Known As: Myriceron caffeoyl ester, Myriceric acid A, (4aS,6aR,6aR,6bR,8aR,12aR,14bS)-6a-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid, 27((3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3-oxoolean-12-en-28-oic acid, Olean-12-en-28-oic acid, 27((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3-oxo-
| Molecular Formula | C39H52O7 |
|---|---|
| Molecular Weight | 632.37 g/mol |
| LogP | 8.0897 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 632.3713 |
| Heavy Atoms | 46 |
| Complexity | 1517.6566 |
Chemical Identifiers
| CAS Number | 142877-49-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)(C)C |
Product Overview
Myriceron caffeoyl ester (CAS 142877-49-4), with molecular formula C39H52O7 and molecular weight 632.37 g/mol. IUPAC: (4aS,6aR,6aR,6bR,8aR,12aR,14bS)-6a-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of Myriceron caffeoyl ester
Property Insights of Myriceron caffeoyl ester
The XLogP value of 8.0897 indicates that Myriceron caffeoyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Myriceron caffeoyl ester. Following Lipinski's Rule of Five, Myriceron caffeoyl ester has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Myriceron caffeoyl ester?
The CAS number of Myriceron caffeoyl ester is 142877-49-4.
What is the molecular formula of Myriceron caffeoyl ester?
The molecular formula of Myriceron caffeoyl ester is C39H52O7.
What is the molecular weight of Myriceron caffeoyl ester?
The molecular weight of Myriceron caffeoyl ester is 632.37 g/mol.
Where can I buy Myriceron caffeoyl ester?
You can request a quote for Myriceron caffeoyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myriceron caffeoyl ester?
Yes, KEHONG BIO provides custom synthesis services for Myriceron caffeoyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.