ChemSpider 2D Image | (3beta,16R,22S,25R)-3-Hydroxyspirost-5-en-7-one | C27H40O4

(3β,16R,22S,25R)-3-Hydroxyspirost-5-en-7-one

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID58791201

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1'S,2S,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-16'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosan]-18'-en-20'-one
(3β,16R,22S,25R)-3-Hydroxyspirost-5-en-7-on [German] [ACD/IUPAC Name]
(3β,16R,22S,25R)-3-Hydroxyspirost-5-en-7-one [ACD/IUPAC Name]
(3β,16R,22S,25R)-3-Hydroxyspirost-5-én-7-one [French] [ACD/IUPAC Name]
6877-72-1 [RN]
Spirost-5-en-7-one, 3-hydroxy-, (3β,16R,22S,25R)- [ACD/Index Name]
(5β,25R)-3-HYDROXY-SPIROST-5-EN-7-ONE
7-Ketodiosgenin
MFCD28100374

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 567.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.8±6.0 kJ/mol
    Flash Point: 185.9±23.6 °C
    Index of Refraction: 1.571
    Molar Refractivity: 119.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 444.55
    ACD/KOC (pH 5.5): 2735.19
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 444.55
    ACD/KOC (pH 7.4): 2735.19
    Polar Surface Area: 56 Å2
    Polarizability: 47.4±0.5 10-24cm3
    Surface Tension: 47.3±5.0 dyne/cm
    Molar Volume: 363.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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