ChemSpider 2D Image | (3beta,7beta,12beta,20Z)-3,7,12-Trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid | C30H42O8

(3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID58922073

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7β,12β,20Z)-3,7,12-trihydroxy-11,15,23-trioxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 3,7,12-trihydroxy-11,15,23-trioxo-, (3β,7β,12β,20Z)- [ACD/Index Name]
(3??,7??,12??,20Z)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oic acid
(3β,7β,12β,20Z)-3,7,12-Trihydroxy-11,15,23-trioxo-lanost-8,20-dien-26-oic acid
(Z)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
1961358-02-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 413.6±29.4 °C
Index of Refraction: 1.587
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 5.04
ACD/KOC (pH 5.5): 58.37
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 411.9±5.0 cm3

Click to predict properties on the Chemicalize site


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