ChemSpider 2D Image | (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-[(~2~H_3_)Ethanoyloxy]-8-(3-furyl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-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-5-yl (2E)-2-methyl-2-butenoate | C34H41D3O9

(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-[(2H3)Ethanoyloxy]-8-(3-furyl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-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-5-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC34H41D3O9
  • Average mass599.726 Da
  • Monoisotopic mass599.317383 Da
  • ChemSpider ID107448642

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-[(2H3)Ethanoyloxy]-8-(3-furyl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-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-5-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-[(2H3)Ethanoyloxy]-8-(3-furyl)-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-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-5-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-3-[(2H3)éthanoyloxy]-8-(3-furyl)-6-(2-méthoxy-2-oxoéthyl)-2a,5a,6a,7-tétraméthyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodécah ydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]naphto[2,3-d]furan-5-yle [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-2a,5a,6a,7-tetramethyl-5-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-[(1-oxoe ;thyl-2,2,2-d3)oxy]-, methyl ester, (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 336.0±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 156.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11888.89
ACD/KOC (pH 5.5): 28745.86
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11888.89
ACD/KOC (pH 7.4): 28745.86
Polar Surface Area: 111 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 478.7±5.0 cm3

Click to predict properties on the Chemicalize site


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