ChemSpider 2D Image | (2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3-Hydroxy-4,6-dimethyl-6-octen-2-yl]-2-[(2S,3S,4S,5Z,7E)-3-hydroxy-4-methyl-5,7,9-decatrien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol | C33H56O6

(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3-Hydroxy-4,6-dimethyl-6-octen-2-yl]-2-[(2S,3S,4S,5Z,7E)-3-hydroxy-4-methyl-5,7,9-decatrien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol

  • Molecular FormulaC33H56O6
  • Average mass548.794 Da
  • Monoisotopic mass548.407715 Da
  • ChemSpider ID9881347

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3-Hydroxy-4,6-dimethyl-6-octen-2-yl]-2-[(2S,3S,4S,5Z,7E)-3-hydroxy-4-methyl-5,7,9-decatrien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol [ACD/IUPAC Name]
(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3-Hydroxy-4,6-dimethyl-6-octen-2-yl]-2-[(2S,3S,4S,5Z,7E)-3-hydroxy-4-methyl-5,7,9-decatrien-2-yl]-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-5-ol [German] [ACD/IUPAC Name]
(2S,3S,5S,6R,8R,9R,10R)-8-[(2R,3S,4S,6E)-3-Hydroxy-4,6-diméthyl-6-octén-2-yl]-2-[(2S,3S,4S,5Z,7E)-3-hydroxy-4-méthyl-5,7,9-décatrién-2-yl]-10-méthoxy-3,9-diméthyl-1,7-dioxaspiro[5.5]undécan-5-ol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 354.5±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30188.88
ACD/KOC (pH 5.5): 56009.10
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30188.88
ACD/KOC (pH 7.4): 56009.10
Polar Surface Area: 88 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 522.6±5.0 cm3

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