ChemSpider 2D Image | (2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-Diacetoxy-1,6b,9a,12a-tetramethyl-2-(2-oxo-2,5-dihydro-3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3' ,4':4,5]naphtho[2,1-d]oxepin-12-yl (2E)-2-methyl-2-butenoate | C35H46O10

(2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-Diacetoxy-1,6b,9a,12a-tetramethyl-2-(2-oxo-2,5-dihydro-3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3' ,4':4,5]naphtho[2,1-d]oxepin-12-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC35H46O10
  • Average mass626.734 Da
  • Monoisotopic mass626.309082 Da
  • ChemSpider ID24677159

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-diacétoxy-1,6b,9a,12a-tétraméthyl-2-(2-oxo-2,5-dihydro-3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tétradécahydro- 2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphto[2,1-d]oxépin-12-yle [French] [ACD/IUPAC Name]
(2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-Diacetoxy-1,6b,9a,12a-tetramethyl-2-(2-oxo-2,5-dihydro-3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3' ,4':4,5]naphtho[2,1-d]oxepin-12-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-Diacetoxy-1,6b,9a,12a-tetramethyl-2-(2-oxo-2,5-dihydro-3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-2H,5H-cyclopenta[b]furo[2',3' ,4':4,5]naphtho[2,1-d]oxepin-12-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-bis(acetyloxy)-2-(2,5-dihydro-2-oxo-3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-1,6b,9a,12a-tetramet hyl-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphth[2,1-d]oxepin-12-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 287.5±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 879.19
ACD/KOC (pH 5.5): 4456.29
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 879.19
ACD/KOC (pH 7.4): 4456.29
Polar Surface Area: 124 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 495.3±5.0 cm3

Click to predict properties on the Chemicalize site


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