Found 25 results

Search term: MF = 'C_{38}H_{56}O_{13}'
ChemSpider 2D Image | (16beta)-3,17-Dihydroxy-22-oxo-19-norcholesta-1(10),2,4-trien-16-yl 2-O-acetyl-3-O-beta-D-xylopyranosyl-alpha-D-arabinopyranoside | C38H56O13

(16β)-3,17-Dihydroxy-22-oxo-19-norcholesta-1(10),2,4-trien-16-yl 2-O-acetyl-3-O-β-D-xylopyranosyl-α-D-arabinopyranoside

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID23297255

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(16β)-3,17-Dihydroxy-22-oxo-19-norcholesta-1(10),2,4-trien-16-yl 2-O-acetyl-3-O-β-D-xylopyranosyl-α-D-arabinopyranoside [ACD/IUPAC Name]
(16β)-3,17-Dihydroxy-22-oxo-19-norcholesta-1(10),2,4-trien-16-yl-2-O-acetyl-3-O-β-D-xylopyranosyl-α-D-arabinopyranosid [German] [ACD/IUPAC Name]
(16β,17α)-3,17-dihydroxy-17-[(2S)-6-methyl-3-oxoheptan-2-yl]estra-1(10),2,4-trien-16-yl 2-O-acetyl-3-O-β-D-xylopyranosyl-α-D-arabinopyranoside
2-O-Acétyl-3-O-β-D-xylopyranosyl-α-D-arabinopyranoside de (16β)-3,17-dihydroxy-22-oxo-19-norcholesta-1(10),2,4-trién-16-yle [French] [ACD/IUPAC Name]
3-Heptanone, 2-[(16β,17α)-16-[(2-O-acetyl-3-O-β-D-xylopyranosyl-α-D-arabinopyranosyl)oxy]-3,17-dihydroxyestra-1(10),2,4-trien-17-yl]-6-methyl-, (2S)- [ACD/Index Name]
(2R,3S,4R,5R)-2-{[(1S,10R,11S,13S,14S,15S)-5,14-dihydroxy-15-methyl-14-[(2S)-6-methyl-3-oxoheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-13-yl]oxy}-5-hydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl acetate
(2R,3S,4R,5R)-2-{[(1S,10R,11S,13S,14S,15S)-5,14-dihydroxy-15-methyl-14-[(2S)-6-methyl-3-oxoheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-13-yl]oxy}-5-hydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl acetateNA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 854.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.1±3.0 kJ/mol
Flash Point: 258.4±27.8 °C
Index of Refraction: 1.604
Molar Refractivity: 182.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 266.44
ACD/KOC (pH 5.5): 1896.05
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 266.06
ACD/KOC (pH 7.4): 1893.31
Polar Surface Area: 202 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 530.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement