ChemSpider 2D Image | (7beta)-7-Hydroxy-3,11,15,23-tetraoxolanosta-8,16-dien-26-oic acid | C30H40O7

(7β)-7-Hydroxy-3,11,15,23-tetraoxolanosta-8,16-dien-26-oic acid

  • Molecular FormulaC30H40O7
  • Average mass512.634 Da
  • Monoisotopic mass512.277405 Da
  • ChemSpider ID29420061

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(7β)-7-Hydroxy-3,11,15,23-tetraoxolanosta-8,16-dien-26-oic acid [ACD/IUPAC Name]
(7β)-7-Hydroxy-3,11,15,23-tetraoxolanosta-8,16-dien-26-säure [German] [ACD/IUPAC Name]
Acide (7β)-7-hydroxy-3,11,15,23-tétraoxolanosta-8,16-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,16-dien-26-oic acid, 7-hydroxy-3,11,15,23-tetraoxo-, (7β)- [ACD/Index Name]
(6R)-6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12-hexahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
1427189-02-3 [RN]
3,11,15,23-Tetraoxo-27??-lanosta-8,16-dien-26-oic acid
3,11,15,23-Tetraoxo-27|I-lanosta-8,16-dien-26-oic acid
3,11,15,23-tetraoxo-27ξ-lanosta-8,16-dien- 26-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 394.2±29.4 °C
Index of Refraction: 1.570
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 11.81
ACD/KOC (pH 5.5): 120.22
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 126 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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