ChemSpider 2D Image | 1,3-diacetylvilasinin | C30H40O7

1,3-diacetylvilasinin

  • Molecular FormulaC30H40O7
  • Average mass512.634 Da
  • Monoisotopic mass512.277405 Da
  • ChemSpider ID30785532

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,3R,3aR,5aR,6S,6aR,9R,9aS,11aR,11bR,11cR)-9-(3-Furyl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3-diyl di acetate [ACD/IUPAC Name]
(1S,3R,3aR,5aR,6S,6aR,9R,9aS,11aR,11bR,11cR)-9-(3-Furyl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3-diyl-di acetat [German] [ACD/IUPAC Name]
1,3-diacetylvilasinin
Cyclopenta[7,8]phenanthro[10,1-bc]furan-1,3,6-triol, 9-(3-furanyl)-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydro-3a,6a,9a,11b-tetramethyl-, 1,3-diacetate, (1S,3R,3aR,5aR,6S,6aR,9R,9aS,11aR ,11bR,11cR)- [ACD/Index Name]
Diacétate de (1S,3R,3aR,5aR,6S,6aR,9R,9aS,11aR,11bR,11cR)-9-(3-furyl)-6-hydroxy-3a,6a,9a,11b-tétraméthyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadécahydrocyclopenta[7,8]phénanthro[10,1-bc]fura ne-1,3-diyle [French] [ACD/IUPAC Name]
(1S,3R,3aR,5aR,6S,6aR,9R,9aS,11aR,11bR,11cR)-9-(furan-3-yl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3-diyl diacetate
[(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] acetate
[78012-28-9] [RN]
78012-28-9 [RN]
MFCD23103714

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.3±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1945.57
ACD/KOC (pH 5.5): 7868.58
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1945.57
ACD/KOC (pH 7.4): 7868.58
Polar Surface Area: 95 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 409.9±5.0 cm3

Click to predict properties on the Chemicalize site


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