ChemSpider 2D Image | (1S,2S,4R,9beta,16alpha,23E)-1,2,20-Trihydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-diene-16,25-diyl diacetate | C34H50O9

(1S,2S,4R,9β,16α,23E)-1,2,20-Trihydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-diene-16,25-diyl diacetate

  • Molecular FormulaC34H50O9
  • Average mass602.755 Da
  • Monoisotopic mass602.345459 Da
  • ChemSpider ID95502743

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,2S,4R,9β,16α,23E)-1,2,20-Trihydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-16,25-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,2S,4R,9β,16α,23E)-1,2,20-Trihydroxy-9,10,14-trimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-diene-16,25-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1S,2S,4R,9β,16α,23E)-1,2,20-trihydroxy-9,10,14-triméthyl-11,22-dioxo-4,9-cyclo-9,10-sécocholesta-5,23-diène-16,25-diyle [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 16-(acetyloxy)-17-[(3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,3-dihydroxy-4,4,9,14-tetramethyl-, (2β,3α,9β,10α,16α,17β)- [ACD/Index Name]
[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate
16,25-Di-O-acetylcucurbitacin F
2062685-10-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 691.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.8±6.0 kJ/mol
Flash Point: 209.9±25.0 °C
Index of Refraction: 1.561
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 743.39
ACD/KOC (pH 5.5): 3952.01
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 743.39
ACD/KOC (pH 7.4): 3951.99
Polar Surface Area: 147 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 491.9±5.0 cm3

Click to predict properties on the Chemicalize site


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