(5aS,13abeta)-11aalpha-(1,1-Dimethyl-2-Propenyl)-6aalpha-Hydroxy-2,3,6,6a,11,11alpha-Hexahydro-1H-Pyrrolo[1'',2'':4',5']Pyrazino[1',2':1,5]Pyrrolo[2,3-b]Indole-5,13(5aH,13aH)-Dione
[CAS# 23454-27-5]

Identification

• Name: (5aS,13abeta)-11aalpha-(1,1-Dimethyl-2-Propenyl)-6aalpha-Hydroxy-2,3,6,6a,11,11alpha-Hexahydro-1H-Pyrrolo[1'',2'':4',5']Pyrazino[1',2':1,5]Pyrrolo[2,3-b]Indole-5,13(5aH,13aH)-Dione
• Molecular Formula: C₂₁H₂₅N₃O₃
• Molecular Weight: 367.45
• CAS Registry Number: 23454-27-5
• SMILES: [C@]12(NC5=C([C@@]1(C[C@@H]3N2C([C@H]4N(C3=O)CCC4)=O)O)C=CC=C5)C(C=C)(C)C
• InChI: 1S/C21H25N3O3/c1-4-19(2,3)21-20(27,13-8-5-6-9-14(13)22-21)12-16-17(25)23-11-7-10-15(23)18(26)24(16)21/h4-6,8-9,15-16,22,27H,1,7,10-12H2,2-3H3/t15-,16-,20+,21-/m0/s1
• InChIKey: YAQYEBABECUWBT-AFMUBRCDSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 598.023°C at 760 mmHg (Cal.)
• Flash point: 315.473°C (Cal.)