ChemSpider 2D Image | Deacetyloleandrin | C30H46O8

Deacetyloleandrin

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID32699484

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β,16β)-3-[(2,6-Dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-3-[(2,6-Didesoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-3-[(2,6-Didésoxy-3-O-méthyl-α-L-arabino-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
36190-93-9 [RN]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14,16-dihydroxy-, (3β,5β,16β)- [ACD/Index Name]
Deacetyloleandrin
DESACETYLOLEANDRIN
16-Deacetyloleandrin
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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

EBI62AI90G [DBID]
UNII:EBI62AI90G [DBID]
UNII-EBI62AI90G [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: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.8±6.0 kJ/mol
Flash Point: 223.9±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.62
ACD/KOC (pH 5.5): 162.66
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.62
ACD/KOC (pH 7.4): 162.66
Polar Surface Area: 115 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 419.6±5.0 cm3

Click to predict properties on the Chemicalize site


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