N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate
[CAS# 66409-97-0]

Identification

• Name: N-Butyl-12-beta,13-alpha-dihydrojervine, 3-acetate
• Synonyms: [(3S,3'R,3'As,6'S,6As,6Bs,7'Ar,10R,10As,11As,11Br)-4'-Butyl-3',6',10,11B-Tetramethyl-11-Oxo-Spiro[1,2,3,4,6,6A,6B,7,8,10,10A,11A-Dodecahydrobenzo[I]Fluorene-9,2'-3,3A,5,6,7,7A-Hexahydrofuro[4,5-B]Pyridine]-3-Yl] Acetate; Acetic Acid [(3S,3'R,3'As,6'S,6As,6Bs,7'Ar,10R,10As,11As,11Br)-4'-Butyl-3',6',10,11B-Tetramethyl-11-Oxo-3-Spiro[1,2,3,4,6,6A,6B,7,8,10,10A,11A-Dodecahydrobenzo[I]Fluorene-9,2'-3,3A,5,6,7,7A-Hexahydrofuro[4,5-B]Pyridine]Yl] Ester; Acetic Acid [(3S,3'R,3'As,6'S,6As,6Bs,7'Ar,10R,10As,11As,11Br)-4'-Butyl-11-Keto-3',6',10,11B-Tetramethyl-Spiro[1,2,3,4,6,6A,6B,7,8,10,10A,11A-Dodecahydrobenzo[I]Fluorene-9,2'-3,3A,5,6,7,7A-Hexahydrofuro[4,5-B]Pyridine]-3-Yl] Ester
• Molecular Formula: C₃₃H₅₁NO₄
• Molecular Weight: 525.77
• CAS Registry Number: 66409-97-0
• SMILES: [C@@H]16[C@H]([C@H]2[C@H](C1=O)[C@@]3(C(=CC2)C[C@@H](OC(=O)C)CC3)C)CCC5(O[C@H]4[C@@H](N(C[C@H](C4)C)CCCC)[C@H]5C)[C@@H]6C
• InChI: 1S/C33H51NO4/c1-7-8-15-34-18-19(2)16-27-30(34)21(4)33(38-27)14-12-25-26-10-9-23-17-24(37-22(5)35)11-13-32(23,6)29(26)31(36)28(25)20(33)3/h9,19-21,24-30H,7-8,10-18H2,1-6H3/t19-,20+,21+,24-,25-,26-,27+,28+,29+,30-,32-,33?/m0/s1
• InChIKey: KYSNSCUKVXTGBM-VNTGBJQKSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 609.073°C at 760 mmHg (Cal.)
• Flash point: 322.156°C (Cal.)