(5'aR)-1,2',3,3',5'abeta,6',7',8',9',9'aalpha,10',10'aalpha-Dodecahydro-8'alpha-Hydroxy-3-Oxospiro[2H-Indole-2,1'(5'H)-Pyrrolo[1,2-b]Isoquinoline]-9'alpha-Carboxylic Acid Methyl Ester
[CAS# 6872-98-6]

Identification

• Name: (5'aR)-1,2',3,3',5'abeta,6',7',8',9',9'aalpha,10',10'aalpha-Dodecahydro-8'alpha-Hydroxy-3-Oxospiro[2H-Indole-2,1'(5'H)-Pyrrolo[1,2-b]Isoquinoline]-9'alpha-Carboxylic Acid Methyl Ester
• Synonyms: Methyl 8-Hydroxy-3'-Oxo-Spiro[3,5,5A,6,7,8,9,9A,10,10A-Decahydro-2H-Pyrrolo[1,2-B]Isoquinoline-1,2'-Indoline]-9-Carboxylate; 8-Hydroxy-3'-Oxo-9-Spiro[3,5,5A,6,7,8,9,9A,10,10A-Decahydro-2H-Pyrrolo[1,2-B]Isoquinoline-1,2'-Indoline]Carboxylic Acid Methyl Ester; 8-Hydroxy-3'-Keto-Spiro[3,5,5A,6,7,8,9,9A,10,10A-Decahydro-2H-Pyrrolo[1,2-B]Isoquinoline-1,2'-Indoline]-9-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₁H₂₆N₂O₄
• Molecular Weight: 370.45
• CAS Registry Number: 6872-98-6
• SMILES: C1=CC=CC2=C1C(C5(N2)C3N(CC4C(C3)C(C(=O)OC)C(CC4)O)CC5)=O
• InChI: 1S/C21H26N2O4/c1-27-20(26)18-14-10-17-21(19(25)13-4-2-3-5-15(13)22-21)8-9-23(17)11-12(14)6-7-16(18)24/h2-5,12,14,16-18,22,24H,6-11H2,1H3
• InChIKey: NBAZMEJNJWJAPL-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 555.985°C at 760 mmHg (Cal.)
• Flash point: 290.05°C (Cal.)