ChemSpider 2D Image | Balsaminol B | C31H52O4

Balsaminol B

  • Molecular FormulaC31H52O4
  • Average mass488.742 Da
  • Monoisotopic mass488.386566 Da
  • ChemSpider ID24676126

  • 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)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1,19,23-triol [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,10S,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,19,23-triol [ACD/IUPAC Name]
(1S,4S,7S,9β,10S,23R)-7-Méthoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-diène-1,19,23-triol [French] [ACD/IUPAC Name]
(3β,4β,7β,9β,10α,23R)-4-(Hydroxymethyl)-7-methoxy-4,9,14-trimethyl-19-norcholesta-5,24-diene-3,23-diol
1189131-53-0 [RN]
7β-Methoxycucurbita-5,24-diene-3β,23(R),29-triol
Balsaminol B [Wiki]
Estr-5-en-3-ol, 17-[(1R,3R)-3-hydroxy-1,5-dimethyl-4-hexen-1-yl]-4-(hydroxymethyl)-7-methoxy-4,9,14-trimethyl-, (3β,4β,7β,9β,10α,17β)- [ACD/Index Name]
(1S,4S,9β,10S,23R)-7-Methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-diene-1,19,23-triol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 311.6±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34263.41
ACD/KOC (pH 5.5): 61321.86
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34263.41
ACD/KOC (pH 7.4): 61321.86
Polar Surface Area: 70 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 450.4±5.0 cm3

Click to predict properties on the Chemicalize site


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