Found 92 results

Search term: MF = 'C_{41}H_{64}O_{14}'
ChemSpider 2D Image | (3beta,5beta,8xi,9xi,16beta)-3-{[2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enoli de | C41H64O14

(3β,5β,8ξ,9ξ,16β)-3-{[2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enoli de

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID68151584

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,16β)-3-{[2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enoli ; de [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,16β)-3-{[2,6-Didesoxy-β-D-ribo-hexopyranosyl-(1->3)-[2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)]-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-en ; olid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,16β)-3-{[2,6-Didésoxy-β-D-ribo-hexopyranosyl-(1->3)-[2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)]-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-14,16-dihydroxycard-20(22)-én ; olide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->3)-O-[2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-14,16-dihydroxy-, (3β,5β,8ξ,9 ξ,16β)- [ACD/Index Name]
3-[(3S,5R,10S,13R,14S,16S,17R)-3-[(2R,4S,5R,6R)-4,5-bis[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-14,16-dihydroxy-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
4-[3-({4,5-bis[(4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}oxy)-14,16-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2(5H)-furanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 913.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.7±6.0 kJ/mol
Flash Point: 272.3±27.8 °C
Index of Refraction: 1.602
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 120.47
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 120.47
Polar Surface Area: 203 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 572.3±5.0 cm3

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