Fumitremorgin A
[CAS# 12626-18-5]

Identification

• Name: Fumitremorgin A
• Synonyms: 5H-12H-3,4-Dioxa-5A,11A,15A-Triazacyclooct(Lm)Indeno(5,6-B)Fluorene-11,15(2H,13H)-Dione, 1,10,10A,14,14A,15B-Hexahydro-10A-Hydroxy-7-Methoxy-2,2-Dimethyl-10-((3-Methyl-2-Butenyl)Oxy)-5-(2-Methyl-1-Propenyl)-, (5R,10S,10Ar,14As,15Bs)-; 5H-12H-3,4-Dioxa-5A,11A,15A-Triazacyclooct(Lm)Indeno(5,6-B)Fluorene-11,15(2H,13H)-Dione, 1,10,10A,14,14A,15B-Hexahydro-10A-Hydroxy-7-Methoxy-2,2-Dimethyl-10-((3-Methyl-2-Butenyl)Oxy)-5-(2-Methyl-1-Propenyl)-, (5R-(5-Alpha,10-Alpha,10A-Alpha,14A-Alpha,15B-Alpha))-; Fumitremorgin A
• Molecular Formula: C₃₂H₄₁N₃O₇
• Molecular Weight: 579.69
• CAS Registry Number: 12626-18-5
• SMILES: [C@]14(N(C(=O)[C@H]2N(C1=O)CCC2)[C@H]3CC(OO[C@@H]([N]5C3=C([C@@H]4OCC=C(C)C)C6=CC=C(OC)C=C56)C=C(C)C)(C)C)O
• InChI: 1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1
• InChIKey: ACGHJVZDNQZJOV-BMOJZYMJSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 762.116°C at 760 mmHg (Cal.)
• Flash point: 414.713°C (Cal.)