(1S,3bR,10aS,12aS)-1-Hydroxy-1,10A,12A-Trimethyl-2,3,3A,3B,4,5,5A,6,7,8,10,10A,10B,11,12,12A-Hexadecahydrocyclopenta[5,6]Naphtho[1,2-f]Indazol-9(1H)-One
[CAS# 125709-39-9]

Identification

• Name: (1S,3bR,10aS,12aS)-1-Hydroxy-1,10A,12A-Trimethyl-2,3,3A,3B,4,5,5A,6,7,8,10,10A,10B,11,12,12A-Hexadecahydrocyclopenta[5,6]Naphtho[1,2-f]Indazol-9(1H)-One
• Molecular Formula: C₂₁H₃₂N₂O₂
• Molecular Weight: 344.49
• CAS Registry Number: 125709-39-9
• SMILES: C[C@]12CCC3[C@H](C1CC[C@]2(C)O)CCC4[C@@]3(Cc5c([nH]nc5O)C4)C
• InChI: 1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12?,13-,15?,16?,19+,20+,21+/m1/s1
• InChIKey: SWPAIUOYLTYQKK-HOUFEQBOSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 529.566°C at 760 mmHg (Cal.)
• Flash point: 274.072°C (Cal.)
• Refractive index: 1.591 (Cal.)