ChemSpider 2D Image | OLEASIDE A | C30H44O7

OLEASIDE A

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID32815793

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,4R,6S,9S,10R,13R,14R)-9,13-Dimethyl-17-oxo-14-(5-oxo-2,5-dihydro-3-furanyl)tetracyclo[11.3.1.01,10.04,9]heptadec-6-yl 2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranoside [ACD/IUPAC Name]
(1R,4R,6S,9S,10R,13R,14R)-9,13-Dimethyl-17-oxo-14-(5-oxo-2,5-dihydro-3-furanyl)tetracyclo[11.3.1.01,10.04,9]heptadec-6-yl-2,6-didesoxy-3-O-methyl-β-D-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[(3S,4aR,6aR,9R,10R,12aR,12bS)-3-[(2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]tetradecahydro-10,12b-dimethyl-13-oxo-1H-6a,10-methanocycloocta[a]naphthalen-9-yl]- [ACD/Index Name]
2,6-Didésoxy-3-O-méthyl-β-D-lyxo-hexopyranoside de (1R,4R,6S,9S,10R,13R,14R)-9,13-diméthyl-17-oxo-14-(5-oxo-2,5-dihydro-3-furanyl)tétracyclo[11.3.1.01,10.04,9]heptadéc-6-yle [French] [ACD/IUPAC Name]
69686-84-6 [RN]
OLEASIDE A
3-[(1R,4R,6S,9S,10R,13R,14R)-6-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one
3β-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-14-oxo-8,15-cyclo-14,15-seco-5β-card-20(22)-enolide
OLEASIDEA(P)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 216.3±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.28
ACD/KOC (pH 5.5): 1633.09
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.28
ACD/KOC (pH 7.4): 1633.09
Polar Surface Area: 91 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 420.7±5.0 cm3

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