(1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*))-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-(8-Hydroxy-9H-Pyrido(3,4-b)Indol-1-Yl)-1,13-Etheno-4,21a-Methano-1H-Azocino(1',2':1,5)Pyrrolo(3,2-E)Azacyclopentadecin-13(13aH)-Ol
[CAS# 154466-37-2]

Identification

• Name: (1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*))-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-(8-Hydroxy-9H-Pyrido(3,4-b)Indol-1-Yl)-1,13-Etheno-4,21a-Methano-1H-Azocino(1',2':1,5)Pyrrolo(3,2-E)Azacyclopentadecin-13(13aH)-Ol
• Molecular Formula: C₃₆H₄₄N₄O₂
• Molecular Weight: 564.77
• CAS Registry Number: 154466-37-2
• SMILES: [C@@H]12N8[C@H](CC13[C@H]4C=C([C@@]2(O)CC\C=C/CCCCN(C3)CC4)C6=C5[NH]C7=C(C5=CC=N6)C=CC=C7O)\C=C/CCCC8
• InChI: 1S/C36H44N4O2/c41-30-14-11-13-27-28-15-18-37-33(32(28)38-31(27)30)29-22-25-16-21-39-19-9-5-2-1-4-8-17-36(29,42)34-35(25,24-39)23-26-12-7-3-6-10-20-40(26)34/h1,4,7,11-15,18,22,25-26,34,38,41-42H,2-3,5-6,8-10,16-17,19-21,23-24H2/b4-1-,12-7-/t25-,26+,34-,35?,36+/m1/s1
• InChIKey: NJWZIVLVINWAQS-VZAHDCKLSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 793.631°C at 760 mmHg (Cal.)
• Flash point: 433.773°C (Cal.)