ChemSpider 2D Image | (3alpha,25R)-Spirost-5-en-3-ol | C27H42O3

(3α,25R)-Spirost-5-en-3-ol

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID22913832
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3α,25R)-Spirost-5-en-3-ol [ACD/IUPAC Name]
(3α,25R)-Spirost-5-en-3-ol [German] [ACD/IUPAC Name]
(3α,25R)-Spirost-5-én-3-ol [French] [ACD/IUPAC Name]
Spirost-5-en-3-ol, (3α,25R)- [ACD/Index Name]
(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-en-16'-ol
(2'R,4R,5'R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol
66289-52-9 [RN]
C27H42O3
Diosgenin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 527.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 272.6±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12569.93
ACD/KOC (pH 5.5): 29915.14
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12569.93
ACD/KOC (pH 7.4): 29915.14
Polar Surface Area: 39 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 366.9±5.0 cm3

Click to predict properties on the Chemicalize site






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