Found 20 results

Search term: MF = 'C_{34}H_{52}O_{12}'
ChemSpider 2D Image | (2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-Acetoxy-4-(butyryloxy)-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate | C34H52O12

(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-Acetoxy-4-(butyryloxy)-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate

  • Molecular FormulaC34H52O12
  • Average mass652.769 Da
  • Monoisotopic mass652.345886 Da
  • ChemSpider ID8434223

  • 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

(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate
(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-Acetoxy-4-(butyryloxy)-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate [ACD/IUPAC Name]
(2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-Acetoxy-4-(butyryloxy)-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methyl-2-butenoyl]oxy}-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acétoxy-4-(butyryloxy)-2-éthoxy-3,3a-dihydroxy-3,6,9-triméthyl-8-{[(2Z)-2-méthyl-2-butenoyl]oxy}-2,3,3a,4,5,6,6a,7,8,9b-décahydroazuléno[4,5-b]furan-7-yl e [French] [ACD/IUPAC Name]
Hexanoic acid, (2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2-ethoxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-(1-oxobutoxy)azuleno[4 ,5-b]furan-7-yl ester [ACD/Index Name]
hexanoic acid, (2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-2-ethoxy-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester
Hexanoic acid (2S,3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-butyryloxy-2-ethoxy-3,3a-dihydroxy-3,6,9-trimethyl-8-((Z)-2-methyl-but-2-enoyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-azuleno[4,5-b]furan-7-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±6.0 kJ/mol
Flash Point: 197.5±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 166.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 80679.92
ACD/KOC (pH 5.5): 113198.98
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 80674.34
ACD/KOC (pH 7.4): 113191.16
Polar Surface Area: 164 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 535.6±5.0 cm3

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