ChemSpider 2D Image | Protostemonine | C23H31NO6

Protostemonine

  • Molecular FormulaC23H31NO6
  • Average mass417.495 Da
  • Monoisotopic mass417.215149 Da
  • ChemSpider ID24534161

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5Z)-4-Methoxy-3-methyl-5-{(1S,3aR,8S,10aS,10bR)-1-methyl-8-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-yliden}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-4-Methoxy-3-methyl-5-{(1S,3aR,8S,10aS,10bR)-1-methyl-8-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene}-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-4-Méthoxy-3-méthyl-5-{(1S,3aR,8S,10aS,10bR)-1-méthyl-8-[(2S,4S)-4-méthyl-5-oxotétrahydro-2-furanyl]décahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azépin-2-ylidène}-2(5H)-furanone [French] [ACD/IUPAC Name]
(5Z)-4-Methoxy-3-methyl-5-{(1S,3aR,8S,10aS,10bR)-1-methyl-8-[(2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl]decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene}furan-2(5H)-one
2(3H)-Furanone, 5-[(1S,2Z,3aR,8S,10aS,10bR)-decahydro-2-(3-methoxy-4-methyl-5-oxo-2(5H)-furanylidene)-1-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8-yl]dihydro-3-methyl-, (3S,5S)- [ACD/Index Name]
27495-40-5 [RN]
Protostemonine
(5Z)-4-Methoxy-3-methyl-5-{(3aR,10aS,10bR)-1-methyl-8-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene}furan-2(5H)-one
(Z)-4-methoxy-3-methyl-5-((1S,3aR,8S,10aS,10bR)-1-methyl-8-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene)furan-2(5H)-one
(Z)-4-methoxy-3-methyl-5-((1S,3aR,8S,10aS,10bR)-1-methyl-8-((2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl)octahydro-1H-furo[3,2-c]pyrrolo[1,2-a]azepin-2(10bH)-ylidene)furan-2(5H)-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 594.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.6±3.0 kJ/mol
    Flash Point: 313.1±30.1 °C
    Index of Refraction: 1.576
    Molar Refractivity: 108.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 1.66
    ACD/KOC (pH 7.4): 20.24
    Polar Surface Area: 74 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 49.7±5.0 dyne/cm
    Molar Volume: 326.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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