ChemSpider 2D Image | (1S,3R,5R,6aS,7S,8S,9R,10S,10aS)-1,3-Diacetoxy-7-[(2R)-2-hydroperoxy-3-methylene-4-penten-1-yl]-5,9-dihydroxy-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl (2E,4E)-2,4-decadienoat e | C34H48O11

(1S,3R,5R,6aS,7S,8S,9R,10S,10aS)-1,3-Diacetoxy-7-[(2R)-2-hydroperoxy-3-methylene-4-penten-1-yl]-5,9-dihydroxy-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl (2E,4E)-2,4-decadienoat e

  • Molecular FormulaC34H48O11
  • Average mass632.738 Da
  • Monoisotopic mass632.319641 Da
  • ChemSpider ID26391601

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3R,5R,6aS,7S,8S,9R,10S,10aS)-1,3-Diacetoxy-7-[(2R)-2-hydroperoxy-3-methylen-4-penten-1-yl]-5,9-dihydroxy-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl-(2E,4E)-2,4-decadienoat [German] [ACD/IUPAC Name]
(1S,3R,5R,6aS,7S,8S,9R,10S,10aS)-1,3-Diacetoxy-7-[(2R)-2-hydroperoxy-3-methylene-4-penten-1-yl]-5,9-dihydroxy-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl (2E,4E)-2,4-decadienoat e [ACD/IUPAC Name]
(2E,4E)-2,4-Décadiénoate de (1S,3R,5R,6aS,7S,8S,9R,10S,10aS)-1,3-diacétoxy-7-[(2R)-2-hydroperoxy-3-méthylène-4-pentén-1-yl]-5,9-dihydroxy-7,8-diméthyl-3,5,6,6a,7,8,9,10-octahydronaphto[1,8a-c]furan-10 -yle [French] [ACD/IUPAC Name]
2,4-Decadienoic acid, (1S,3R,5R,6aS,7S,8S,9R,10S,10aS)-1,3-bis(acetyloxy)-3,5,6,6a,7,8,9,10-octahydro-7-[(2R)-2-hydroperoxy-3-methylene-4-penten-1-yl]-5,9-dihydroxy-7,8-dimethyl-1H-naphtho[1,8a-c]fura n-10-yl ester, (2E,4E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 742.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 226.4±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15349.97
ACD/KOC (pH 5.5): 34514.61
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15349.20
ACD/KOC (pH 7.4): 34512.87
Polar Surface Area: 158 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 515.0±5.0 cm3

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