ChemSpider 2D Image | (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-Acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoate | C26H38O10

(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-Acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID9880894
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2Z)-2-Méthyl-2-buténoate de (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-acétoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-triméthyl-2-oxododécahydroazuléno[4,5-b]furan-8-yle [French] [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate
(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-Acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-Acetoxy-4-(butyryloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)dodecahydro-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-8-yl ester, (2Z)- [ACD/Index Name]
(Z)-2-Methyl-but-2-enoic acid (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-acetoxy-4-butyryloxy-3,3a-dihydroxy-3,6,9-trimethyl-2-oxo-dodecahydro-azuleno[4,5-b]furan-8-yl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 588.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 186.8±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.44
ACD/KOC (pH 5.5): 1009.42
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.40
ACD/KOC (pH 7.4): 1009.04
Polar Surface Area: 146 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 402.3±5.0 cm3

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