ChemSpider 2D Image | MFCD18429635 | C29H46O

MFCD18429635

  • Molecular FormulaC29H46O
  • Average mass410.675 Da
  • Monoisotopic mass410.354858 Da
  • ChemSpider ID29365011

  • 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

(22E,24R)-Stigmasta-4,22-dien-3-on [German] [ACD/IUPAC Name]
(22E,24R)-Stigmasta-4,22-dien-3-one [ACD/IUPAC Name]
(22E,24R)-Stigmasta-4,22-dién-3-one [French] [ACD/IUPAC Name]
55722-32-2 [RN]
MFCD18429635
Stigmasta-4,22-dien-3-one [ACD/Index Name] [ACD/IUPAC Name]
Stigmasta-4,22-dien-3-one, (22E,24R)- [ACD/Index Name]
(22E,?24R)?-Stigmasta-?4,?22-?dien-?3-?one (9CI)
(8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
4,22-Stigmastadiene-3-one
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 503.2±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 262.3±11.8 °C
Index of Refraction: 1.525
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.72
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 734978.00
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 734978.00
Polar Surface Area: 17 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 416.6±5.0 cm3

Click to predict properties on the Chemicalize site


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