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Search term: UODJOGKPOAZZHT-OCCINUARBF (Found by InChIKey (full match))
ChemSpider 2D Image | Spinoside A | C39H56O12

Spinoside A

  • Molecular FormulaC39H56O12
  • Average mass716.855 Da
  • Monoisotopic mass716.377197 Da
  • ChemSpider ID4444702

  • 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

(4S,9β,16α,23E)-2,20,25-Trihydroxy-9,10,14-trimethyl-1,22-dioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-16-yl 2,4-di-O-acetyl-α-L-arabinopyranoside [ACD/IUPAC Name]
(4S,9β,16α,23E)-2,20,25-Trihydroxy-9,10,14-trimethyl-1,22-dioxo-4,9-cyclo-9,10-secocholesta-2,5,23-trien-16-yl-2,4-di-O-acetyl-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2,4-Di-O-acétyl-α-L-arabinopyranoside de (4S,9β,16α,23E)-2,20,25-trihydroxy-9,10,14-triméthyl-1,22-dioxo-4,9-cyclo-9,10-sécocholesta-2,5,23-trién-16-yle [French] [ACD/IUPAC Name]
Estra-1,5-dien-3-one, 16-[(2,4-di-O-acetyl-α-L-arabinopyranosyl)oxy]-17-[(1R,3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-hydroxy-4,4,9,14-tetramethyl-, (9β,10α,16α,17β)- [ACD/Index Name]
Spinoside A
119626-74-3 [RN]
19-NORLANOSTA-1,5,23-TRIENE-3,22-DIONE,16-[(2,4-DI-O-ACETYL-A-L-ARABINOPYRANOSYL)OXY]-2,20,25-TRIHYDROXY-9-METHYL-, (9B,10A,16A,23E)-

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

C08809 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 817.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.2±6.0 kJ/mol
Flash Point: 243.7±27.8 °C
Index of Refraction: 1.580
Molar Refractivity: 185.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 958.47
ACD/KOC (pH 5.5): 4739.63
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 917.65
ACD/KOC (pH 7.4): 4537.77
Polar Surface Area: 186 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 556.5±5.0 cm3

Click to predict properties on the Chemicalize site


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