ChemSpider 2D Image | (3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-Hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-7aH-cyclopenta[a]chrysene-7a-carbox ylic acid | C30H46O5

(3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-Hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-7aH-cyclopenta[a]chrysene-7a-carbox ylic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID57620957

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-Hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-7aH-cyclopenta[a]chrysen-7a-carbons äure [German] [ACD/IUPAC Name]
(3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-Hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-7aH-cyclopenta[a]chrysene-7a-carbox ylic acid [ACD/IUPAC Name]
7aH-Cyclopenta[a]chrysene-7a-carboxylic acid, 3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadecahydro-11-hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-, (3S,3aR,5aR,5bS,7aS,10R,11R,11a S,13aS,13bR)- [ACD/Index Name]
Acide (3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-hydroxy-1,3-bis(hydroxyméthyl)-3,5a,5b,10,11,13b-hexaméthyl-3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-hexadécahydro-7aH-cyclopenta[a]chrysène-7a- carboxylique [French] [ACD/IUPAC Name]
(3?,?3'?,?4?,?4'?,?8?,?9?,?10?,?13?,?14?,?17?)?-3',?4',?5',?6'-?tetrahydro-?3'-?hydroxy-?15,?17-?bis(hydroxymethyl)?-?3',?4',?9,?14,?17-?pentamethyl-Benzo[3,?4]?-?18-?norandrosta-?3,?5,?15-?triene-?3(2'H)?-?carboxylic acid?
(3S,3aR,5aR,5bS,7aS,10R,11R,11aS,13aS,13bR)-11-hydroxy-1,3-bis(hydroxymethyl)-3,5a,5b,10,11,13b-hexamethyl-4,5,6,7,8,9,10,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid
214285-76-4 [RN]
Rosamultic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 630.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 106.8±6.0 kJ/mol
    Flash Point: 348.9±28.0 °C
    Index of Refraction: 1.593
    Molar Refractivity: 136.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.87
    ACD/LogD (pH 5.5): 4.71
    ACD/BCF (pH 5.5): 1228.94
    ACD/KOC (pH 5.5): 2802.26
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 19.43
    ACD/KOC (pH 7.4): 44.31
    Polar Surface Area: 98 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 54.7±5.0 dyne/cm
    Molar Volume: 402.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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