ChemSpider 2D Image | (2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-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]napht ho[2,3-d]furan-5-yl 3-methylbutanoate | C32H44O8

(2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-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]napht ho[2,3-d]furan-5-yl 3-methylbutanoate

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID138308

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-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]napht ho[2,3-d]furan-5-yl 3-methylbutanoate [ACD/IUPAC Name]
(2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-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]napht ho[2,3-d]furan-5-yl-3-methylbutanoat [German] [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-hydroxy-2a,5a,6a,7-tetramethyl-5-(3-methyl-1-oxobutoxy)-, methyl ester, ( 2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)- [ACD/Index Name]
3-Méthylbutanoate de (2aR,3R,5S,5aR,6R,6aR,9aR,10aS,10bR,10cR)-8-(3-furyl)-3-hydroxy-6-(2-méthoxy-2-oxoéthyl)-2a,5a,6a,7-tétraméthyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodécahydro-2H,3H-cyclopenta[b]fu ro[2',3',4':4,5]naphto[2,3-d]furan-5-yle [French] [ACD/IUPAC Name]
2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-(3-methyl-1-oxobutoxy)-, methyl ester, (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-
2H,3H-CYCLOPENTA(D)NAPHTHO(1,8-BC:2,3-B)DIFURAN-6-ACETIC ACID,8-(3-FURANYL)-2A,4,5,5A,6,6A,8,9,9A,10A,10B,10C-DODECAHYDRO-3-HYDROXY-2A,5A,6A,7-TETRAMETHYL-5-(3-METHYL-1-OXOBUTOXY)-, METHYL ESTER, (2AR,3R,5S,5AR,6R,6AR,8R,9AR,10AS,10BR,10CR)-
78012-51-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.7±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1706.83
ACD/KOC (pH 5.5): 7164.71
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1706.83
ACD/KOC (pH 7.4): 7164.71
Polar Surface Area: 104 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 448.6±5.0 cm3

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