Colletotrichin
TL;DR: Colletotrichin (CAS 61235-00-5) is a chemical compound with molecular formula C28H42O7 and molecular weight 490.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[(1S,4aS,5R,6S,8aS)-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-6-methoxy-2-methyl-4-oxopyran-3-carboxylate
Also Known As: Colletotrichin, COLLECTOTRICHIN A, methyl 5-[[(1S,4aS,5R,6S,8aS)-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-6-methoxy-2-methyl-4-oxopyran-3-carboxylate, methyl 5-{[(1s,4as,5r,6s,8as)-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]methyl}-6-methoxy-2-methyl-4-oxo-4h-pyran-3-carboxylate, 4H-Pyran-3-carboxylic acid, 5-((decahydro-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)methyl)-6-methoxy-2-methyl-4-oxo-, methyl ester, (1alpha,4aalpha,5alpha,6alpha,8abeta)-
| Molecular Formula | C28H42O7 |
|---|---|
| Molecular Weight | 490.29 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.29306 |
| Heavy Atoms | 35 |
| Complexity | 958.0 |
Chemical Identifiers
| CAS Number | 61235-00-5 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(O1)OC)C[C@H]2C(=C)CC[C@H]3[C@]2(CC[C@@H]([C@]3(C)CCC(C)(C)O)O)C)C(=O)OC |
| InChIKey | IUNGBSYMDFEAMS-KPRONASWSA-N |
Product Overview
Colletotrichin (CAS 61235-00-5), with molecular formula C28H42O7 and molecular weight 490.29 g/mol. IUPAC: methyl 5-[[(1S,4aS,5R,6S,8aS)-6-hydroxy-5-(3-hydroxy-3-methylbutyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-6-methoxy-2-methyl-4-oxopyran-3-carboxylate.
Chemical Property Profile of Colletotrichin
Property Insights of Colletotrichin
The XLogP value of 4.2 indicates that Colletotrichin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Colletotrichin. Following Lipinski's Rule of Five, Colletotrichin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Colletotrichin?
The CAS number of Colletotrichin is 61235-00-5.
What is the molecular formula of Colletotrichin?
The molecular formula of Colletotrichin is C28H42O7.
What is the molecular weight of Colletotrichin?
The molecular weight of Colletotrichin is 490.29 g/mol.
Where can I buy Colletotrichin?
You can request a quote for Colletotrichin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colletotrichin?
Yes, KEHONG BIO provides custom synthesis services for Colletotrichin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.