ChemSpider 2D Image | niduterpenoid B | C25H40O4

niduterpenoid B

  • Molecular FormulaC25H40O4
  • Average mass404.583 Da
  • Monoisotopic mass404.292664 Da
  • ChemSpider ID81369481
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(1R,3S,3aS,3bR,3cS,4S,4aS,5S,6aR,7S,9aS,9bS,10aS)-1-(2-Hydroxy-2-propanyl)-3a,4,4a,7-tetramethylhexadecahydrocyclopenta[2,3]cyclopropa[1,2-a]pentaleno[6a,1-e]pentalen-3,5,7-triol [German] [ACD/IUPAC Name]
(1R,3S,3aS,3bR,3cS,4S,4aS,5S,6aR,7S,9aS,9bS,10aS)-1-(2-Hydroxy-2-propanyl)-3a,4,4a,7-tetramethylhexadecahydrocyclopenta[2,3]cyclopropa[1,2-a]pentaleno[6a,1-e]pentalene-3,5,7-triol [ACD/IUPAC Name]
(1R,3S,3aS,3bR,3cS,4S,4aS,5S,6aR,7S,9aS,9bS,10aS)-1-(2-Hydroxy-2-propanyl)-3a,4,4a,7-tétraméthylhexadécahydrocyclopenta[2,3]cyclopropa[1,2-a]pentaléno[6a,1-e]pentalène-3,5,7-triol [French] [ACD/IUPAC Name]
Cyclopenta[2,3]cyclopropa[1,2-a]pentaleno[6a,1-e]pentalene-3,5,7-triol, hexadecahydro-1-(1-hydroxy-1-methylethyl)-3a,4,4a,7-tetramethyl-, (1R,3S,3aS,3bR,3cS,4S,4aS,5S,6aR,7S,9aS,9bS,10aS)- [ACD/Index Name]
niduterpenoid B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 239.1±24.7 °C
Index of Refraction: 1.608
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.83
ACD/KOC (pH 5.5): 658.67
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.83
ACD/KOC (pH 7.4): 658.67
Polar Surface Area: 81 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 322.5±5.0 cm3

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