Fumitremorgin B
[CAS# 12626-17-4]

Identification

• Name: Fumitremorgin B
• Synonyms: Lanosulin; 5H,14H-Pyrrolo(1'',2'':4',5')Pyrazino(1',2':1,6)Pyrido(3,4-B)Indole-5,14-Dione, 1,2,3,5A,6,11,12,14A-Octahydro-5A,6-Dihydroxy-9-Methoxy-11-(3-Methyl-2-Butenyl)-12-(2-Methyl-1-Propenyl)-, (5Ar,6S,12S,14As)-; 5H,14H-Pyrrolo(1'',2'':4',5')Pyrazino(1',2':1,6)Pyrido(3,4-B)Indole-5,14-Dione, 1,2,3,5A,6,11,12,14A-Octahydro-5A,6-Dihydroxy-9-Methoxy-11-(3-Methyl-2-Butenyl)-12-(2-Methyl-1-Propenyl)-, (5Ar-(5A-Alpha,6-Alpha,12-Beta,14A-Alpha))-
• Molecular Formula: C₂₇H₃₃N₃O₅
• Molecular Weight: 479.57
• CAS Registry Number: 12626-17-4
• SMILES: [C@]14(O)N([C@H](C2=C([C@@H]1O)C3=C([N]2CC=C(C)C)C=C(OC)C=C3)C=C(C)C)C(=O)[C@H]5N(C4=O)CCC5
• InChI: 1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1
• InChIKey: WEIYXEFMCIRZHC-MWGWWEMPSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 724.296°C at 760 mmHg (Cal.)
• Flash point: 391.84°C (Cal.)