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Search term: 128438320 (Found by CSID)
ChemSpider 2D Image | [(1S,2R,6S)-2-Hydroxy-6-{[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (2R,3S)-2,3-dihydroxybutanoate | C26H38O8

[(1S,2R,6S)-2-Hydroxy-6-{[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (2R,3S)-2,3-dihydroxybutanoate

  • Molecular FormulaC26H38O8
  • Average mass478.575 Da
  • Monoisotopic mass478.256653 Da
  • ChemSpider ID128438320

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3S)-2,3-Dihydroxybutanoate de [(1S,2R,6S)-2-hydroxy-6-{[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]méthyl}-5-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl]méthyle [French] [ACD/IUPAC Name]
[(1S,2R,6S)-2-Hydroxy-6-{[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]methyl}-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl-(2R,3S)-2,3-dihydroxybutanoat [German] [ACD/IUPAC Name]
[(1S,2R,6S)-2-Hydroxy-6-{[(1S,4aR,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (2R,3S)-2,3-dihydroxybutanoate [ACD/IUPAC Name]
Butanoic acid, 2,3-dihydroxy-, [(1S,2R,6S)-6-[[(1S,4aR,6R,8aR)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl ester, ( 2R,3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 653.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 215.4±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.61
ACD/KOC (pH 5.5): 271.19
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.61
ACD/KOC (pH 7.4): 271.18
Polar Surface Area: 137 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 368.3±5.0 cm3

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