Found 152 results

Search term: MF = 'C_{29}H_{40}O_{4}'
ChemSpider 2D Image | [(1S,4aS,5R,6R,8aR)-6-Hydroxy-1,4a,6-trimethyl-5-(3-methylene-4-penten-1-yl)decahydro-1-naphthalenyl]methyl (2E)-3-(4-hydroxyphenyl)acrylate | C29H40O4

[(1S,4aS,5R,6R,8aR)-6-Hydroxy-1,4a,6-trimethyl-5-(3-methylene-4-penten-1-yl)decahydro-1-naphthalenyl]methyl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC29H40O4
  • Average mass452.625 Da
  • Monoisotopic mass452.292664 Da
  • ChemSpider ID26393976

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxyphényl)acrylate de [(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-triméthyl-5-(3-méthylène-4-pentén-1-yl)décahydro-1-naphtalényl]méthyle [French] [ACD/IUPAC Name]
[(1S,4aS,5R,6R,8aR)-6-Hydroxy-1,4a,6-trimethyl-5-(3-methylen-4-penten-1-yl)decahydro-1-naphthalinyl]methyl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
[(1S,4aS,5R,6R,8aR)-6-Hydroxy-1,4a,6-trimethyl-5-(3-methylene-4-penten-1-yl)decahydro-1-naphthalenyl]methyl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1S,4aS,5R,6R,8aR)-decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methylene-4-penten-1-yl)-1-naphthalenyl]methyl ester, (2E)- [ACD/Index Name]
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
117254-98-5 [RN]
8?-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
8α-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
MFCD23103726

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 571.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 180.0±16.7 °C
    Index of Refraction: 1.548
    Molar Refractivity: 135.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 7.48
    ACD/LogD (pH 5.5): 6.85
    ACD/BCF (pH 5.5): 94757.59
    ACD/KOC (pH 5.5): 127008.06
    ACD/LogD (pH 7.4): 6.85
    ACD/BCF (pH 7.4): 94281.45
    ACD/KOC (pH 7.4): 126369.88
    Polar Surface Area: 67 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 425.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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