ChemSpider 2D Image | (3E,5E,11E,13E)-16-[(6E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6-decen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one | C33H52O8

(3E,5E,11E,13E)-16-[(6E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6-decen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one

  • Molecular FormulaC33H52O8
  • Average mass576.761 Da
  • Monoisotopic mass576.366211 Da
  • ChemSpider ID4943322

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5E,11E,13E)-16-[(6E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6-decen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-on [German] [ACD/IUPAC Name]
(3E,5E,11E,13E)-16-[(6E)-3,9-Dihydroxy-4,8-dimethyl-5-oxo-6-decen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one [ACD/IUPAC Name]
(3E,5E,11E,13E)-16-[(6E)-3,9-Dihydroxy-4,8-diméthyl-5-oxo-6-décén-2-yl]-8-hydroxy-3,15-diméthoxy-5,7,9,11-tétraméthyloxacyclohexadéca-3,5,11,13-tétraén-2-one [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 16-[(5E)-2,8-dihydroxy-1,3,7-trimethyl-4-oxo-5-nonen-1-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3E,5E,11E,13E)- [ACD/Index Name]
100632-37-9 [RN]
Hygrolidin, 21-de((3-carboxy-1-oxo-2-propenyl)oxy)-19,23-deepoxy-23-deethyl-20,21-didehydro-2-demethyl-19-deoxy-23-hydroxy-2-methoxy-23-methyl-19-oxo-
PD-118,576

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

PD 118576 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 226.7±26.4 °C
Index of Refraction: 1.528
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 668.81
ACD/KOC (pH 5.5): 3663.97
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.81
ACD/KOC (pH 7.4): 3663.97
Polar Surface Area: 123 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 524.4±5.0 cm3

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