ChemSpider 2D Image | Methyl [(2aS,3R,5aR,6S,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3-methoxy-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3- d]furan-6-yl]acetate | C28H34O8

Methyl [(2aS,3R,5aR,6S,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3-methoxy-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3- d]furan-6-yl]acetate

  • Molecular FormulaC28H34O8
  • Average mass498.565 Da
  • Monoisotopic mass498.225372 Da
  • ChemSpider ID62782623

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(2aS,3R,5aR,6S,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-méthoxy-2a,5a,6a,7-tétraméthyl-2,5-dioxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodécahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphto[2,3-d]furan- 6-yl]acétate de méthyle [French] [ACD/IUPAC Name]
2H,3H-Cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-acetic acid, 8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-methoxy-2a,5a,6a,7-tetramethyl-2,5-dioxo-, methyl ester, (2aS,3R,5aR,6S,6 aR,8R,9aR,10aS,10bR,10cR)- [ACD/Index Name]
Methyl [(2aS,3R,5aR,6S,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3-methoxy-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3- d]furan-6-yl]acetate [ACD/IUPAC Name]
Methyl-[(2aS,3R,5aR,6S,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-furyl)-3-methoxy-2a,5a,6a,7-tetramethyl-2,5-dioxo-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3- d]furan-6-yl]acetat [German] [ACD/IUPAC Name]
1607828-35-2 [RN]
2,3-Dihydro-3??-methoxynimbolide
2,3-Dihydro-3��-methoxynimbolide
2,3-Dihydro-3α-methoxynimbolide
2,3-Dihydro-3α-methoxynimbolide
methyl 2-[(1R,2S,4R,6R,9R,10S,11R,14R,15S,18R)-6-(furan-3-yl)-14-methoxy-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-10-yl]acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.3±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.21
ACD/KOC (pH 5.5): 831.39
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.21
ACD/KOC (pH 7.4): 831.39
Polar Surface Area: 101 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 382.7±5.0 cm3

Click to predict properties on the Chemicalize site


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