ChemSpider 2D Image | (3beta,6beta,20R,22E)-Stigmasta-4,22-diene-3,6-diol | C29H48O2

(3β,6β,20R,22E)-Stigmasta-4,22-diene-3,6-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID33823789

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,6β,20R,22E)-Stigmasta-4,22-dien-3,6-diol [German] [ACD/IUPAC Name]
(3β,6β,20R,22E)-Stigmasta-4,22-diene-3,6-diol [ACD/IUPAC Name]
(3β,6β,20R,22E)-Stigmasta-4,22-diène-3,6-diol [French] [ACD/IUPAC Name]
Stigmasta-4,22-diene-3,6-diol, (3β,6β,20R,22E)- [ACD/Index Name]
(3S,6R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
167958-89-6 [RN]
Stigmasta-4,22-diene-3??,6??-diol
StigMasta-4,22-diene-3β,6β-diol
Stigmasta-4,22-diene-3β,6β-diol
StigMasta-4,22-diene-3β,6β-diol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 535.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 219.7±21.4 °C
Index of Refraction: 1.541
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 406272.66
ACD/KOC (pH 5.5): 360051.03
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 406272.66
ACD/KOC (pH 7.4): 360051.03
Polar Surface Area: 40 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 415.5±5.0 cm3

Click to predict properties on the Chemicalize site


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