ChemSpider 2D Image | Balsaminol A | C30H50O4

Balsaminol A

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID24655824
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(1S,4S,7S,9β,10S,23R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1,7,19,23-tetrol [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,10S,23R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,7,19,23-tetrol [ACD/IUPAC Name]
(1S,4S,7S,9β,10S,23R)-9,10,14-Triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-diène-1,7,19,23-tétrol [French] [ACD/IUPAC Name]
(3β,4β,7β,9β,10α,23R)-4-(Hydroxymethyl)-4,9,14-trimethyl-19-norcholesta-5,24-diene-3,7,23-triol
Balsaminol A [Wiki]
Cucurbita-5,24-diene-3β,7β,23(R),29-tetraol
Estr-5-ene-3,7-diol, 17-[(1R,3R)-3-hydroxy-1,5-dimethyl-4-hexen-1-yl]-4-(hydroxymethyl)-4,9,14-trimethyl-, (3β,4β,7β,9β,10α,17β)- [ACD/Index Name]
(1S,4S,9β,10S,23R)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,7,19,23-tetrol
1189131-51-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 602.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 247.6±24.7 °C
Index of Refraction: 1.563
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9258.16
ACD/KOC (pH 5.5): 24034.10
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9258.15
ACD/KOC (pH 7.4): 24034.10
Polar Surface Area: 81 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 425.6±5.0 cm3

Click to predict properties on the Chemicalize site





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