(4S,7S,10R,13R)-10-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10-dimethyl-7-(1-methylethyl)-13-(tert-butyl)-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one
[CAS# 110187-21-8]

Identification

• Name: (4S,7S,10R,13R)-10-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10-dimethyl-7-(1-methylethyl)-13-(tert-butyl)-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one
• Molecular Formula: C₂₉H₄₃N₃O₂
• Molecular Weight: 465.68
• CAS Registry Number: 110187-21-8
• SMILES: [C@@H]3(C(N[C@H](COC)CC1=C[NH]C2=C4C(=CC(=C12)N3C)[C@](CC[C@@H]4C(C)(C)C)(C=C)C)=O)C(C)C
• InChI: 1S/C29H43N3O2/c1-10-29(7)12-11-20(28(4,5)6)24-21(29)14-22-23-18(15-30-25(23)24)13-19(16-34-9)31-27(33)26(17(2)3)32(22)8/h10,14-15,17,19-20,26,30H,1,11-13,16H2,2-9H3,(H,31,33)/t19-,20-,26-,29-/m0/s1
• InChIKey: XVXFTYXRGYNKBI-JKRNNPMPSA-N

Properties

• Density: 1.068g/cm³ (Cal.)
• Boiling point: 650.341°C at 760 mmHg (Cal.)
• Flash point: 347.114°C (Cal.)