ChemSpider 2D Image | Cimiracemoside K | C37H56O10

Cimiracemoside K

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID9105594

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-Hydroxy-22-isopropenyl-3,8,8,17,19-pentamethyl-9-(β-D-xylopyranosyloxy)-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]t etracos-16-yl acetate [ACD/IUPAC Name]
(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-Hydroxy-22-isopropenyl-3,8,8,17,19-pentamethyl-9-(β-D-xylopyranosyloxy)-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]t etracos-16-yl-acetat [German] [ACD/IUPAC Name]
473554-75-5 [RN]
Acétate de (1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-hydroxy-22-isopropényl-3,8,8,17,19-pentaméthyl-9-(β-D-xylopyranosyloxy)-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12 .012,14]tétracos-16-yle [French] [ACD/IUPAC Name]
Cimiracemoside K
β-D-Xylopyranoside, (2S,4aR,5aR,7R,7aR,7bR,8R,10R,11S,12aS,13R,13aS,13bR,15aR)-7-(acetyloxy)heptadecahydro-13-hydroxy-1,1,7a,8,13a-pentamethyl-11-(1-methylethenyl)-10,12a-epoxy-2H,5H-cyclopropa[1', 8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl [ACD/Index Name]

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

MAB9A9VY5X [DBID]
UNII:MAB9A9VY5X [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: 757.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 230.6±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 438.80
ACD/KOC (pH 5.5): 2709.82
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 438.80
ACD/KOC (pH 7.4): 2709.81
Polar Surface Area: 144 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 502.4±5.0 cm3

Click to predict properties on the Chemicalize site


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