Colletotrichin
[CAS# 61235-00-5]

Identification

• Name: Colletotrichin
• Synonyms: Methyl 5-[[(1S,4As,5R,6S,8As)-6-Hydroxy-5-(3-Hydroxy-3-Methyl-Butyl)-5,8A-Dimethyl-2-Methylene-Decalin-1-Yl]Methyl]-6-Methoxy-2-Methyl-4-Oxo-Pyran-3-Carboxylate; 5-[[(1S,4As,5R,6S,8As)-6-Hydroxy-5-(3-Hydroxy-3-Methylbutyl)-5,8A-Dimethyl-2-Methylene-1-Decalinyl]Methyl]-6-Methoxy-2-Methyl-4-Oxo-3-Pyrancarboxylic Acid Methyl Ester; 5-[[(1S,4As,5R,6S,8As)-6-Hydroxy-5-(3-Hydroxy-3-Methyl-Butyl)-5,8A-Dimethyl-2-Methylene-Decalin-1-Yl]Methyl]-4-Keto-6-Methoxy-2-Methyl-Pyran-3-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₈H₄₂O₇
• Molecular Weight: 490.64
• CAS Registry Number: 61235-00-5
• SMILES: [C@@]23([C@@H](CC1=C(OC(=C(C1=O)C(=O)OC)C)OC)C(CC[C@@H]2[C@](CCC(O)(C)C)(C)[C@H](CC3)O)=C)C
• InChI: 1S/C28H42O7/c1-16-9-10-20-27(5,12-11-21(29)28(20,6)14-13-26(3,4)32)19(16)15-18-23(30)22(24(31)33-7)17(2)35-25(18)34-8/h19-21,29,32H,1,9-15H2,2-8H3/t19-,20-,21-,27-,28+/m0/s1
• InChIKey: IUNGBSYMDFEAMS-KPRONASWSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 623.44°C at 760 mmHg (Cal.)
• Flash point: 198.374°C (Cal.)