Found 9 results

Search term: HZIBYJCDCHVSPK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R,3S,4R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-9-(beta-D-xylopyranosyloxy)-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~ 12,14~]tetracos-16-yl acetate | C37H58O11

(1S,2R,3S,4R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-9-(β-D-xylopyranosyloxy)-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.0 12,14]tetracos-16-yl acetate

  • Molecular FormulaC37H58O11
  • Average mass678.850 Da
  • Monoisotopic mass678.397888 Da
  • ChemSpider ID8922417

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(1S,2R,3S,4R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-9-(β-D-xylopyranosyloxy)-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.0 12,14]tetracos-16-yl acetate [ACD/IUPAC Name]
(1S,2R,3S,4R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentamethyl-9-(β-D-xylopyranosyloxy)-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.0 12,14]tetracos-16-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,2R,3S,4R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxy-2-propanyl)-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]
β-D-Xylopyranoside, (2S,4aR,5aR,7R,7aR,7bR,8R,10R,11S,12aS,13R,13aS,13bR)-7-(acetyloxy)heptadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[ 1',8'a]naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 234.7±26.4 °C
Index of Refraction: 1.603
Molar Refractivity: 173.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 163.23
ACD/KOC (pH 5.5): 1335.12
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 163.22
ACD/KOC (pH 7.4): 1335.11
Polar Surface Area: 164 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 504.9±5.0 cm3

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