Xanthochymol
TL;DR: Xanthochymol (CAS 52617-32-0) is a chemical compound with molecular formula C38H50O6 and molecular weight 602.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3Z,5S,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2R)-5-methyl-2-prop-1-en-2-ylhex-5-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
Also Known As: Xanthochymol, (1R,3Z,5S,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2R)-5-methyl-2-prop-1-en-2-ylhex-5-enyl]bicyclo[3.3.1]nonane-2,4,9-trione, (1R,3Z,5S,7S)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-[(2R)-2-isopropenyl-5-methyl-hex-5-enyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione, (1S,5S,7S)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-5-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-1,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione, 1alpha,7alpha-Bis(3-methyl-2-butenyl)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-5alpha-[(R)-2-(1-methylethenyl)-5-methyl-5-hexenyl]-8,8-dimethylbicyclo[3.3.1]non-3-ene-2,9-dione
| Molecular Formula | C38H50O6 |
|---|---|
| Molecular Weight | 602.36 g/mol |
| LogP | 8.758 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 602.3607 |
| Heavy Atoms | 44 |
| Complexity | 1476.1324 |
Chemical Identifiers
| CAS Number | 52617-32-0 |
|---|---|
| SMILES | CC(=CC[C@H]1C[C@]2(C(=O)/C(=C(\C3=CC(=C(C=C3)O)O)/O)/C(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)C[C@@H](CCC(=C)C)C(=C)C)C |
Product Overview
Xanthochymol (CAS 52617-32-0), with molecular formula C38H50O6 and molecular weight 602.36 g/mol. IUPAC: (1R,3Z,5S,7S)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2R)-5-methyl-2-prop-1-en-2-ylhex-5-enyl]bicyclo[3.3.1]nonane-2,4,9-trione.
Chemical Property Profile of Xanthochymol
Property Insights of Xanthochymol
The XLogP value of 8.758 indicates that Xanthochymol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthochymol. Following Lipinski's Rule of Five, Xanthochymol 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 Xanthochymol?
The CAS number of Xanthochymol is 52617-32-0.
What is the molecular formula of Xanthochymol?
The molecular formula of Xanthochymol is C38H50O6.
What is the molecular weight of Xanthochymol?
The molecular weight of Xanthochymol is 602.36 g/mol.
Where can I buy Xanthochymol?
You can request a quote for Xanthochymol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthochymol?
Yes, KEHONG BIO provides custom synthesis services for Xanthochymol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.