Found 1 result

Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O[C@H]1C(C([C@@H](C(O1)CO)O)O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)[C@@H](CCC(C)C)O)O)C)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,14,22-Trihydroxy-6-oxocholest-7-en-3-yl beta-D-glucopyranoside | C33H54O10

(2β,3β,5β,22R)-2,14,22-Trihydroxy-6-oxocholest-7-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID113385089

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,14,22-Trihydroxy-6-oxocholest-7-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,14,22-Trihydroxy-6-oxocholest-7-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 3-(β-D-glucopyranosyloxy)-2,14,22-trihydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (2β,3β,5β,22R)-2,14,22-trihydroxy-6-oxocholest-7-én-3-yle [French] [ACD/IUPAC Name]
14-deoxy-14,15-didehydroponasteroside A
3-O-(β-D-glucopyranosyl)-2β,3β,14α,22R-tetrahydroxy-5β-cholest-7-ene-6-one
Brainesteroside D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.1±6.0 kJ/mol
Flash Point: 244.4±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.40
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 51.40
Polar Surface Area: 177 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 465.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement