ChemSpider 2D Image | Archangelolide | C29H40O10

Archangelolide

  • Molecular FormulaC29H40O10
  • Average mass548.622 Da
  • Monoisotopic mass548.262146 Da
  • ChemSpider ID4444770

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 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,6aR,7R,9aS,9bS)-3,6-diacétoxy-3,6,9-triméthyl-4-[(2-méthylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-décahydroazuléno[4,5-b]furan-7-yle [French] [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-Diacetoxy-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-7-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-Diacetoxy-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-7-yl (2Z)-2-methylbut-2-enoate
(3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-Diacetoxy-3,6,9-trimethyl-4-[(2-methylbutanoyl)oxy]-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-7-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6-bis(acetyloxy)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-2-oxoazuleno[4,5-b]furan-7-yl ester, (2Z)- [ACD/Index Name]
Archangelolide
(3S,3AR,4S,6S,6AR,7R,9AS,9BS)-3,6-BIS(ACETYLOXY)-3,6,9-TRIMETHYL-4-[(2-METHYLBUTANOYL)OXY]-2-OXO-2H,3H,3AH,4H,5H,6H,6AH,7H,9AH,9BH-AZULENO[4,5-B]FURAN-7-YL (2Z)-2-METHYLBUT-2-ENOATE
41929-11-7 [RN]

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

C09296 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 253.6±31.5 °C
Index of Refraction: 1.526
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2104.40
ACD/KOC (pH 5.5): 8323.23
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2104.40
ACD/KOC (pH 7.4): 8323.23
Polar Surface Area: 132 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 452.2±5.0 cm3

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