ChemSpider 2D Image | 9a-Methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)-2-propenoyl]oxy}-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate | C25H34O7S

9a-Methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)-2-propenoyl]oxy}-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC25H34O7S
  • Average mass478.598 Da
  • Monoisotopic mass478.202515 Da
  • ChemSpider ID35013492

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Méthyl-2-buténoate de 9a-méthoxy-3,4a,5-triméthyl-6-{[(2E)-3-(méthylsulfanyl)-2-propenoyl]oxy}-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-décahydronaphto[2,3-b]furan-4-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 2,4,4a,5,6,7,8,8a,9,9a-decahydro-9a-methoxy-3,4a,5-trimethyl-6-[[(2E)-3-(methylthio)-1-oxo-2-propen-1-yl]oxy]-2-oxonaphtho[2,3-b]furan-4-yl ester, (2Z)- [ACD/Index Name]
9a-Methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)-2-propenoyl]oxy}-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-4-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
9a-Methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)-2-propenoyl]oxy}-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-4-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
9a-methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)prop-2-enoyl]oxy}-2-oxo-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate
Eremopetasitenin D2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 292.9±18.1 °C
Index of Refraction: 1.553
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1677.02
ACD/KOC (pH 5.5): 7074.94
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1677.02
ACD/KOC (pH 7.4): 7074.94
Polar Surface Area: 113 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 393.4±5.0 cm3

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