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

(1S,4R,16α,23E)-1,16,20-Trihydroxy-9-(hydroxymethyl)-10,14-dimethyl-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 ID4938607

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(1S,4R,16α,23E)-1,16,20-Trihydroxy-9-(hydroxymethyl)-10,14-dimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate [ACD/IUPAC Name]
(1S,4R,16α,23E)-1,16,20-Trihydroxy-9-(hydroxymethyl)-10,14-dimethyl-11,22-dioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,4R,16α,23E)-1,16,20-trihydroxy-9-(hydroxyméthyl)-10,14-diméthyl-11,22-dioxo-4,9-cyclo-9,10-sécocholesta-5,23-dién-25-yle [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 17-[(3E)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-3,16-dihydroxy-9-(hydroxymethyl)-4,4,14-trimethyl-, (3β,8ξ,9ξ,10α,13ξ,14ξ,16α)- [ACD/Index Name]
19-Nor-9β,10α-lanosta-5,23-diene-11,22-dione, 3β,16α,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
19-Nor-9-β,10-α-lanosta-5,23-diene-11,22-dione, 3-β,16-α,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3β,9β,10α,16α,23E)-
19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3β,9β,10α,16α,23E)- (9CI)
25-(Acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-19-norlanosta-5,23-diene-11,22-dione
5988-76-1 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

HSDB 3477 [DBID]
NSC 94744 [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: 701.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 218.6±26.4 °C
Index of Refraction: 1.574
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.23
ACD/KOC (pH 5.5): 1123.36
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.23
ACD/KOC (pH 7.4): 1123.35
Polar Surface Area: 141 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

Click to predict properties on the Chemicalize site


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