ChemSpider 2D Image | (1S,2R,4R,9beta,16alpha)-1,2,16,20-Tetrahydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate | C32H48O8

(1S,2R,4R,9β,16α)-1,2,16,20-Tetrahydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate

  • Molecular FormulaC32H48O8
  • Average mass560.719 Da
  • Monoisotopic mass560.334900 Da
  • ChemSpider ID248337

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2R,4R,9β,16α)-1,2,16,20-Tetrahydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate [ACD/IUPAC Name]
(1S,2R,4R,9β,16α)-1,2,16,20-Tetrahydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,2R,4R,9β,16α)-1,2,16,20-tétrahydroxy-9,10,14-triméthyl-11,22-dioxo-4,9-cyclo-9,10-sécocholesta-5,23-dién-25-yle [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 17-[(1R)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,3,16-trihydroxy-4,4,9,14-tetramethyl-, (2α,3α,9β,10α,16α,17β)- [ACD/Index Name]
19-Norlanosta-5,23-diene-11,22-dione, 25- (acetyloxy)-2,3, 16,20-tetrahydroxy-9-methyl-, (2α, 3α,9β,10α)-
Cucurbitacin Q

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

NCI60_000791 [DBID]
NSC135075 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 213.0±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.68
ACD/KOC (pH 5.5): 1302.50
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.68
ACD/KOC (pH 7.4): 1302.49
Polar Surface Area: 141 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 454.4±5.0 cm3

Click to predict properties on the Chemicalize site


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