ChemSpider 2D Image | 6-(5,9a-Dimethyl-2,7-dioxo-5,5a,6,7,9,9a-hexahydro-2H-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(3-furyl)-3a-methyl-7-methyleneoctahydroindeno[1,7a-b]oxiren-4-yl 2-hydroxy-3-methylpentanoate | C33H40O10

6-(5,9a-Dimethyl-2,7-dioxo-5,5a,6,7,9,9a-hexahydro-2H-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(3-furyl)-3a-methyl-7-methyleneoctahydroindeno[1,7a-b]oxiren-4-yl 2-hydroxy-3-methylpentanoate

  • Molecular FormulaC33H40O10
  • Average mass596.665 Da
  • Monoisotopic mass596.262146 Da
  • ChemSpider ID383075

More details:

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

2-Hydroxy-3-méthylpentanoate de 6-(5,9a-diméthyl-2,7-dioxo-5,5a,6,7,9,9a-hexahydro-2H-pyrano[3,4-b]oxépin-5-yl)-5-formyl-3-(3-furyl)-3a-méthyl-7-méthylèneoctahydroindéno[1,7a-b]oxirén-4-yle [French] [ACD/IUPAC Name]
6-(5,9a-Dimethyl-2,7-dioxo-5,5a,6,7,9,9a-hexahydro-2H-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(3-furyl)-3a-methyl-7-methyleneoctahydroindeno[1,7a-b]oxiren-4-yl 2-hydroxy-3-methylpentanoate [ACD/IUPAC Name]
6-(5,9a-Dimethyl-2,7-dioxo-5,5a,6,7,9,9a-hexahydro-2H-pyrano[3,4-b]oxepin-5-yl)-5-formyl-3-(3-furyl)-3a-methyl-7-methylenoctahydroindeno[1,7a-b]oxiren-4-yl-2-hydroxy-3-methylpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 2-hydroxy-3-methyl-, 5-formyl-3-(3-furanyl)-6-(5,5a,6,7,9,9a-hexahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano[3,4-b]oxepin-5-yl)octahydro-3a-methyl-7-methyleneindeno[1,7a-b]oxiren-4-yl este r [ACD/Index Name]
Substance D4
TRICHILIA PRIEURIANA (BARK - SUBSTANCE D4)

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

NSC324052 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 755.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.6±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.14
ACD/KOC (pH 5.5): 744.21
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.14
ACD/KOC (pH 7.4): 744.21
Polar Surface Area: 142 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 453.5±5.0 cm3

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