(3S-(3alpha,5aalpha,10balpha,11abeta))-6-Acetyl-10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(2-methylpropyl)-2H-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-(3H,5aH)-dione
[CAS# 113706-21-1]

Identification

• Name: (3S-(3alpha,5aalpha,10balpha,11abeta))-6-Acetyl-10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(2-methylpropyl)-2H-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-(3H,5aH)-dione
• Synonyms: 2H-Pyrazino(1',2':1,5)Pyrrolo(2,3-B)Indole-1,4-(3H,5Ah)-Dione, 6-Acetyl-10B-(1,1-Dimethyl-2-Propenyl)-6,10B,11,11A-Tetrahydro-3-(2-Methylpropyl)-, (3S,5Ar,10Br,11As)-; 2H-Pyrazino(1',2':1,5)Pyrrolo(2,3-B)Indole-1,4-(3H,5Ah)-Dione, 6-Acetyl-10B-(1,1-Dimethyl-2-Propenyl)-6,10B,11,11A-Tetrahydro-3-(2-Methylpropyl)-, (3S-(3Alpha,5Aalpha,10Balpha,11Abeta))-
• Molecular Formula: C₂₄H₃₁N₃O₃
• Molecular Weight: 409.53
• CAS Registry Number: 113706-21-1
• SMILES: [C@H]23N1[C@H](C(=O)N[C@H](C1=O)CC(C)C)C[C@]2(C4=C(N3C(=O)C)C=CC=C4)C(C=C)(C)C
• InChI: 1S/C24H31N3O3/c1-7-23(5,6)24-13-19-20(29)25-17(12-14(2)3)21(30)27(19)22(24)26(15(4)28)18-11-9-8-10-16(18)24/h7-11,14,17,19,22H,1,12-13H2,2-6H3,(H,25,29)/t17-,19-,22-,24+/m0/s1
• InChIKey: BMRZKNPRSPWNNW-UNBWHIKDSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 654.444°C at 760 mmHg (Cal.)
• Flash point: 349.595°C (Cal.)