(+)-Himbacine
[CAS# 6879-74-9]

Identification

• Name: (+)-Himbacine
• Synonyms: (1S,3As,4Ar,8As,9R,9Ar)-9-[(E)-2-[(2R,6S)-1,6-Dimethyl-2-Piperidyl]Vinyl]-1-Methyl-3A,4,4A,5,6,7,8,8A,9,9A-Decahydro-1H-Benzo[F]Isobenzofuran-3-One; (1S,3As,4Ar,8As,9R,9Ar)-9-[(E)-2-[(2R,6S)-1,6-Dimethyl-2-Piperidinyl]Vinyl]-1-Methyl-3A,4,4A,5,6,7,8,8A,9,9A-Decahydro-1H-Benzo[F]Isobenzofuran-3-One; Naphtho(2,3-C)Furan-1(3H)-One, Decahydro-4-(2-(1,6-Dimethyl-2-Piperidinyl)Ethenyl)-3-Methyl-,(3S-(3-Alpha,3A-Alpha,4-Beta(1E,2(2R*,6S*)),4A-Beta,8A-Alpha,9A-Alpha))-
• Molecular Formula: C₂₂H₃₅NO₂
• Molecular Weight: 345.52
• CAS Registry Number: 6879-74-9
• SMILES: [C@@H]23[C@@H]([C@@H]1[C@H](CCCC1)C[C@@H]2C(=O)O[C@H]3C)\C=C\[C@@H]4N([C@H](CCC4)C)C
• InChI: 1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
• InChIKey: FMPNFDSPHNUFOS-LPJDIUFZSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 469.6±45.0°C at 760 mmHg (Cal.)
• Flash point: 142.9±19.6°C (Cal.)