ChemSpider 2D Image | (1R,4bR,5R,8R,10S,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromene-5,8,10-triyl triacetate | C32H42O9

(1R,4bR,5R,8R,10S,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromene-5,8,10-triyl triacetate

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID5140876

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1R,4bR,5R,8R,10S,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-5,8,10-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,4bR,5R,8R,10S,10aS,12aR)-1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromene-5,8,10-triyl triacetate [ACD/IUPAC Name]
3H-Phenanthro[2,1-c]pyran-3-one, 5,8,10-tris(acetyloxy)-1-(3-furanyl)-1,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-4b,7,7,10a,12a-pentamethyl-, (1R,4bR,5R,8R,10S,10aS,12aR)- [ACD/Index Name]
Triacétate de (1R,4bR,5R,8R,10S,10aS,12aR)-1-(3-furyl)-4b,7,7,10a,12a-pentaméthyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tétradécahydro-1H-naphto[2,1-f]isochromène-5,8,10-triyle [French] [ACD/IUPAC Name]
DEOXYKHIVORIN

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

DivK1c_006721 [DBID]
KBio1_001665 [DBID]
KBio2_001128 [DBID]
KBio2_003696 [DBID]
KBio2_006264 [DBID]
KBio3_000921 [DBID]
KBioGR_001785 [DBID]
KBioSS_001128 [DBID]
SDCCGMLS-0066330.P001 [DBID]
SPBio_000062 [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: 627.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7059.79
ACD/KOC (pH 5.5): 19795.04
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7059.79
ACD/KOC (pH 7.4): 19795.04
Polar Surface Area: 118 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 462.4±5.0 cm3

Click to predict properties on the Chemicalize site


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