ChemSpider 2D Image | (3beta,22xi)-Solanid-5-en-3-ol | C27H43NO

(3β,22ξ)-Solanid-5-en-3-ol

  • Molecular FormulaC27H43NO
  • Average mass397.636 Da
  • Monoisotopic mass397.334473 Da
  • ChemSpider ID23256580

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,22ξ)-Solanid-5-en-3-ol [ACD/IUPAC Name]
(3β,22ξ)-Solanid-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,22ξ)-Solanid-5-én-3-ol [French] [ACD/IUPAC Name]
Solanid-5-en-3-ol, (3β,22ξ)- [ACD/Index Name]
4a,6a,7,10-tetramethyl-(2S,4aR,4bS,6aS,6bR,7S,10S,12aS,13aS,13bR)-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-2-ol
CHEMBL363703
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL363703/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 503.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 223.5±26.8 °C
Index of Refraction: 1.577
Molar Refractivity: 119.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 70.50
ACD/KOC (pH 5.5): 96.29
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 76.08
ACD/KOC (pH 7.4): 103.92
Polar Surface Area: 23 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 361.4±5.0 cm3

Click to predict properties on the Chemicalize site


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