Found 18 results

Search term: MF = 'C_{39}H_{60}O_{8}'
ChemSpider 2D Image | (3beta,16alpha,21beta,22alpha)-28-Acetoxy-3-hydroxy-16,22-dimethoxy-23-oxoolean-12-en-21-yl (2Z)-2-methyl-2-butenoate | C39H60O8

(3β,16α,21β,22α)-28-Acetoxy-3-hydroxy-16,22-dimethoxy-23-oxoolean-12-en-21-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC39H60O8
  • Average mass656.889 Da
  • Monoisotopic mass656.428833 Da
  • ChemSpider ID8230660

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de (3β,16α,21β,22α)-28-acétoxy-3-hydroxy-16,22-diméthoxy-23-oxooléan-12-én-21-yle [French] [ACD/IUPAC Name]
(3β,16α,21β,22α)-28-Acetoxy-3-hydroxy-16,22-dimethoxy-23-oxoolean-12-en-21-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3β,16α,21β,22α)-28-Acetoxy-3-hydroxy-16,22-dimethoxy-23-oxoolean-12-en-21-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3β,16α,21β,22α)-28-(acetyloxy)-3-hydroxy-16,22-dimethoxy-23-oxoolean-12-en-21-yl ester, (2Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 669.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 192.3±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 180.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 697593.13
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 697593.13
Polar Surface Area: 108 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 574.6±5.0 cm3

Click to predict properties on the Chemicalize site


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