ChemSpider 2D Image | Periplocymarin | C30H46O8

Periplocymarin

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID10223840

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
32476-67-8 [RN]
4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-3a,5a-dihydroxy-7-{[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-, (3β,5β)- [ACD/Index Name]
Periplocymarin
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-Dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
4-[(3S,5S,10R,13R,14S,17S)-5,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
MFCD01740198

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

9M3584249U [DBID]
UNII:9M3584249U [DBID]
UNII-9M3584249U [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 690.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.9 mmHg at 25°C
    Enthalpy of Vaporization: 115.8±6.0 kJ/mol
    Flash Point: 221.4±25.0 °C
    Index of Refraction: 1.583
    Molar Refractivity: 139.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.31
    ACD/KOC (pH 5.5): 144.59
    ACD/LogD (pH 7.4): 1.44
    ACD/BCF (pH 7.4): 7.31
    ACD/KOC (pH 7.4): 144.59
    Polar Surface Area: 115 Å2
    Polarizability: 55.5±0.5 10-24cm3
    Surface Tension: 55.9±5.0 dyne/cm
    Molar Volume: 418.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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