ChemSpider 2D Image | Lantadene A | C35H52O5

Lantadene A

  • Molecular FormulaC35H52O5
  • Average mass552.784 Da
  • Monoisotopic mass552.381470 Da
  • ChemSpider ID4941225

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(22β)-22-[[(2Z)-2-Methyl-1-oxo-2-buten-1-yl]oxy]-3-oxoolean-12-en-28-oic acid
(22β)-22-{[(2Z)-2-Methyl-2-butenoyl]oxy}-3-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(22β)-22-{[(2Z)-2-Methyl-2-butenoyl]oxy}-3-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
467-81-2 [RN]
Acide (22β)-22-{[(2Z)-2-méthyl-2-butenoyl]oxy}-3-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Lantadene A
Olean-12-en-28-oic acid, 22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-, (22β)- [ACD/Index Name]
Rehmannic acid
(22β)-22-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-oxoolean-12-en-28-oic acid
(4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9SK62WCU1W [DBID]
HSDB 3503 [DBID]
UNII:9SK62WCU1W [DBID]
UNII-9SK62WCU1W [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 626.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.9 mmHg at 25°C
    Enthalpy of Vaporization: 101.2±6.0 kJ/mol
    Flash Point: 187.9±25.0 °C
    Index of Refraction: 1.552
    Molar Refractivity: 156.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 9.56
    ACD/LogD (pH 5.5): 7.68
    ACD/BCF (pH 5.5): 186789.42
    ACD/KOC (pH 5.5): 82718.93
    ACD/LogD (pH 7.4): 5.92
    ACD/BCF (pH 7.4): 3266.73
    ACD/KOC (pH 7.4): 1446.66
    Polar Surface Area: 81 Å2
    Polarizability: 62.2±0.5 10-24cm3
    Surface Tension: 45.6±5.0 dyne/cm
    Molar Volume: 490.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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