ChemSpider 2D Image | (3beta,15alpha,24E)-3,15-Diacetoxylanosta-7,9(11),24-trien-26-oic acid | C34H50O6

(3β,15α,24E)-3,15-Diacetoxylanosta-7,9(11),24-trien-26-oic acid

  • Molecular FormulaC34H50O6
  • Average mass554.757 Da
  • Monoisotopic mass554.360718 Da
  • ChemSpider ID20147310

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,15α,24E)-3,15-Diacetoxylanosta-7,9(11),24-trien-26-oic acid [ACD/IUPAC Name]
(3β,15α,24E)-3,15-Diacetoxylanosta-7,9(11),24-trien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,15α,24E)-3,15-diacétoxylanosta-7,9(11),24-trién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11),24-trien-26-oic acid, 3,15-bis(acetyloxy)-, (3β,15α,24E)- [ACD/Index Name]
(E,6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
112430-63-4 [RN]
Ganodermic acid S

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

Density: 1.1±0.1 g/cm3
Boiling Point: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 191.1±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 256267.38
ACD/KOC (pH 5.5): 173329.89
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 4431.88
ACD/KOC (pH 7.4): 2997.56
Polar Surface Area: 90 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 492.4±5.0 cm3

Click to predict properties on the Chemicalize site


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