ChemSpider 2D Image | 3-acetyl-7-tigloylvilasinin lactone | C33H44O9

3-acetyl-7-tigloylvilasinin lactone

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID30785533

  • 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

(1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-Acetoxy-1-hydroxy-3a,6a,9a,11b-tetramethyl-8-oxo-9-[(3S)-5-oxotetrahydro-3-furanyl]-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7 ,8]phenanthro[10,1-bc]furan-6-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-Acetoxy-1-hydroxy-3a,6a,9a,11b-tetramethyl-8-oxo-9-[(3S)-5-oxotetrahydro-3-furanyl]-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7 ,8]phenanthro[10,1-bc]furan-6-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-acétoxy-1-hydroxy-3a,6a,9a,11b-tétraméthyl-8-oxo-9-[(3S)-5-oxotétrahydro-3-furanyl]-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b, 11c-hexadécahydrocyclopenta[7,8]phénanthro[10,1-bc]furan-6-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-(acetyloxy)-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydro-1-hydroxy-3a,6a,9a,11b-tetramethyl-8-oxo-9-[(3S)-tetrah ydro-5-oxo-3-furanyl]cyclopenta[7,8]phenanthro[10,1-bc]furan-6-yl ester, (2E)- [ACD/Index Name]
3-acetyl-7-tigloylvilasinin lactone
(1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-(acetyloxy)-1-hydroxy-3a,6a,9a,11b-tetramethyl-8-oxo-9-[(3S)-5-oxotetrahydrofuran-3-yl]-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopen
(1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-(acetyloxy)-1-hydroxy-3a,6a,9a,11b-tetramethyl-8-oxo-9-[(3S)-5-oxotetrahydrofuran-3-yl]-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6-yl (2E)-2-methylbut-2-enoate
113589-92-7 [RN]
ta[7,8]phenanthro[10,1-bc]furan-6-yl (2E)-2-methylbut-2-enoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 218.0±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.47
ACD/KOC (pH 5.5): 592.55
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.47
ACD/KOC (pH 7.4): 592.55
Polar Surface Area: 125 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

Click to predict properties on the Chemicalize site


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