ChemSpider 2D Image | Cymarin | C30H44O9

Cymarin

  • Molecular FormulaC30H44O9
  • Average mass548.665 Da
  • Monoisotopic mass548.298523 Da
  • ChemSpider ID390429

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3b,5b)-3-[(2,6-Dideoxy-3-O-methyl-b-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-3-{[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-10H-cyclopenta[a]phenanthren-10-carbaldehyd
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-3-{[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-3-{[(2R,4S,5R,6R)-5-hydroxy-4-méthoxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-13-méthyl-17-(5-oxo-2,5-dihydro-3-furanyl)hexadécahydro-10H-cyclopenta[a]phénanthrène-10-carbaldéhyde
(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid
(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-ènolide
208-087-9 [EINECS]
More...

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

101370 [DBID]
BRN 0101370 [DBID]
C08859 [DBID]
NSC 7522 [DBID]
ZINC08214527 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 232.7±26.4 °C
Index of Refraction: 1.590
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.72
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.72
Polar Surface Area: 132 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

Click to predict properties on the Chemicalize site


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