ChemSpider 2D Image | (3beta,5xi,9xi,18xi)-3-Acetoxy-11-oxours-12-en-28-oic acid | C32H48O5

(3β,5ξ,9ξ,18ξ)-3-Acetoxy-11-oxours-12-en-28-oic acid

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID5140812

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(3β,5ξ,9ξ,18ξ)-3-Acetoxy-11-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,9ξ,18ξ)-3-Acetoxy-11-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,9ξ,18ξ)-3-acétoxy-11-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-(acetyloxy)-11-oxo-, (3β,5ξ,9ξ,18ξ)- [ACD/Index Name]
11-OXOURSOLIC ACID ACETATE

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

DivK1c_006459 [DBID]
KBio1_001403 [DBID]
KBio2_001819 [DBID]
KBio2_004387 [DBID]
KBio2_006955 [DBID]
KBio3_002115 [DBID]
KBioGR_002142 [DBID]
KBioSS_001819 [DBID]
SDCCGMLS-0066867.P001 [DBID]
SPBio_001679 [DBID]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 184.7±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 21428.90
ACD/KOC (pH 5.5): 22148.34
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 337.70
ACD/KOC (pH 7.4): 349.04
Polar Surface Area: 81 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 450.2±5.0 cm3

Click to predict properties on the Chemicalize site


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