ChemSpider 2D Image | Ohchinolide B | C35H44O10

Ohchinolide B

  • Molecular FormulaC35H44O10
  • Average mass624.718 Da
  • Monoisotopic mass624.293457 Da
  • ChemSpider ID10195269

  • 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-2-(3-furyl)-1,6b,9a,12a-tétraméthyl-5-oxo-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tétradécahydro-2H,5H-cyclopen ta[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-2-(3-furyl)-1,6b,9a,12a-tetramethyl-5-oxo-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]naphth o[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-2-(3-furyl)-1,6b,9a,12a-tetramethyl-5-oxo-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]naphth o[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-(3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-1,6b,9a,12a-tetramethyl-5-oxo-2H,5H-cy clopenta[b]furo[2',3',4':4,5]naphth[2,1-d]oxepin-12-yl ester, (2E)- [ACD/Index Name]
Ohchinolide B
OHCHNOLIDE B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.3±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5288.75
ACD/KOC (pH 5.5): 16097.87
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5288.75
ACD/KOC (pH 7.4): 16097.87
Polar Surface Area: 128 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 491.5±5.0 cm3

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