Found 1 result

Search term: 5140763 (Found by CSID)
ChemSpider 2D Image | (3beta,5alpha,8xi,9xi,12beta,14xi)-11-Oxospirostan-3,12-diyl diacetate | C31H46O7

(3β,5α,8ξ,9ξ,12β,14ξ)-11-Oxospirostan-3,12-diyl diacetate

  • Molecular FormulaC31H46O7
  • Average mass530.693 Da
  • Monoisotopic mass530.324341 Da
  • ChemSpider ID5140763

  • defined stereocentres - 9 of 13 defined stereocentres

More details:

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

(3β,5α,8ξ,9ξ,12β,14ξ)-11-Oxospirostan-3,12-diyl diacetate [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,12β,14ξ)-11-Oxospirostan-3,12-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (3β,5α,8ξ,9ξ,12β,14ξ)-11-oxospirostan-3,12-diyle [French] [ACD/IUPAC Name]
Spirostan-11-one, 3,12-bis(acetyloxy)-, (3β,5α,8ξ,9ξ,12β,14ξ)- [ACD/Index Name]

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

DivK1c_006316 [DBID]
KBio1_001260 [DBID]
KBio2_001271 [DBID]
KBio2_003839 [DBID]
KBio2_006407 [DBID]
KBioGR_001880 [DBID]
KBioSS_001271 [DBID]
SPBio_001157 [DBID]
SpecPlus_000220 [DBID]
Spectrum_000791 [DBID]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 249.7±30.2 °C
Index of Refraction: 1.545
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1111.17
ACD/KOC (pH 5.5): 5269.50
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1111.17
ACD/KOC (pH 7.4): 5269.50
Polar Surface Area: 88 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 444.4±5.0 cm3

Click to predict properties on the Chemicalize site


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