ChemSpider 2D Image | (2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranoside | C28H40O8

(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranoside

  • Molecular FormulaC28H40O8
  • Average mass504.612 Da
  • Monoisotopic mass504.272308 Da
  • ChemSpider ID10182484
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 2,6-dideoxy-3-O-me ;thyl-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-10-yl 2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranoside
(2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-Dimethyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalin-10-yl-2,6-didesoxy-3-O-m ;ethyl-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-3-O-méthyl-β-D-arabino-hexopyranoside de (2aR,4aS,6aR,10S,12aR,12bS,14bR)-2a,12a-diméthyl-6-oxo-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tétradécahydro-6H-2,3,5-trioxapentaléno[1',6': 5,6,7]cyclonona[1,2-a]naphtalén-10-yle [French] [ACD/IUPAC Name]
6H-2,3,5-Trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one, 10-[(2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl)oxy]-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-2a,12a-dim ethyl-, (2aR,4aS,6aR,10S,12aR,12bS,14bR)- [ACD/Index Name]
6H-2,3,5-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-6-one, 10-[(2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl)oxy]-2a,4,4a,6a,7,9,10,11,12,12a,12b,13,14,14b-tetradecahydro-2a,12a-dimethyl-, (2aR,4aS,6aR,10S,12aR,12bS,14bR)-
97399-96-7 [RN]
cynatratoside A
MFCD28100614

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 676.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 222.0±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.82
ACD/KOC (pH 5.5): 807.25
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.82
ACD/KOC (pH 7.4): 807.25
Polar Surface Area: 93 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

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