O-Acetyljervine
[CAS# 14788-78-4]

Identification

• Name: O-Acetyljervine
• Synonyms: [(3S,3'R,3'As,6'S,6As,6Bs,7'Ar,9R,11As,11Br)-3',6',10,11B-Tetramethyl-11-Oxo-Spiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]-3-Yl] Acetate; Acetic Acid [(3S,3'R,3'As,6'S,6As,6Bs,7'Ar,9R,11As,11Br)-3',6',10,11B-Tetramethyl-11-Oxo-3-Spiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]Yl] Ester; Acetic Acid [(3S,3'R,3'As,6'S,6As,6Bs,7'Ar,9R,11As,11Br)-11-Keto-3',6',10,11B-Tetramethyl-Spiro[1,2,3,4,6,6A,6B,7,8,11A-Decahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]-3-Yl] Ester
• Molecular Formula: C₂₉H₄₁NO₄
• Molecular Weight: 467.65
• CAS Registry Number: 14788-78-4
• SMILES: [C@@]36(C(=C2C([C@@H]1[C@@]4(C(=CC[C@H]1[C@@H]2CC3)C[C@@H](OC(=O)C)CC4)C)=O)C)O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C
• InChI: 1S/C29H41NO4/c1-15-12-23-26(30-14-15)17(3)29(34-23)11-9-21-22-7-6-19-13-20(33-18(4)31)8-10-28(19,5)25(22)27(32)24(21)16(29)2/h6,15,17,20-23,25-26,30H,7-14H2,1-5H3/t15-,17+,20-,21-,22-,23+,25+,26-,28-,29-/m0/s1
• InChIKey: UQVIFHXKIPQADQ-CXKDDGKJSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 595.495°C at 760 mmHg (Cal.)
• Flash point: 313.944°C (Cal.)