ChemSpider 2D Image | (7alpha,8alpha,20E)-3,12,15,23-Tetraoxo-7,8-epoxylanosta-9(11),20(22)-dien-26-oic acid | C30H38O7

(7α,8α,20E)-3,12,15,23-Tetraoxo-7,8-epoxylanosta-9(11),20(22)-dien-26-oic acid

  • Molecular FormulaC30H38O7
  • Average mass510.618 Da
  • Monoisotopic mass510.261749 Da
  • ChemSpider ID8159412

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(7α,8α,20E)-3,12,15,23-Tetraoxo-7,8-epoxylanosta-9(11),20(22)-dien-26-oic acid [ACD/IUPAC Name]
(7α,8α,20E)-3,12,15,23-Tetraoxo-7,8-epoxylanosta-9(11),20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (7α,8α,20E)-3,12,15,23-tétraoxo-7,8-époxylanosta-9(11),20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-9(11),20(22)-dien-26-oic acid, 7,8-epoxy-3,12,15,23-tetraoxo-, (7α,8α,20E)- [ACD/Index Name]
Applanoxidic acid F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 110.1±6.0 kJ/mol
Flash Point: 223.8±25.0 °C
Index of Refraction: 1.578
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 58.67
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 403.5±5.0 cm3

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