Found 1 result

Search term: C1[C@]2(C(=C(C(=O)C3=C2CC[C@]2(C3=CC[C@@H]2[C@](C)([C@@H](CCC(C)C)O)O)C)O)C[C@H]([C@H]1O)O[C@H]1C(C([C@@H](C(O1)CO)O)O)O)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,22R)-2,6,20,22-Tetrahydroxy-7-oxocholesta-5,8,14-trien-3-yl beta-D-glucopyranoside | C33H50O11

(2β,3β,22R)-2,6,20,22-Tetrahydroxy-7-oxocholesta-5,8,14-trien-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H50O11
  • Average mass622.744 Da
  • Monoisotopic mass622.335327 Da
  • ChemSpider ID113385088

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2β,3β,22R)-2,6,20,22-Tetrahydroxy-7-oxocholesta-5,8,14-trien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2β,3β,22R)-2,6,20,22-Tetrahydroxy-7-oxocholesta-5,8,14-trien-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholesta-5,8,14-trien-7-one, 3-(β-D-glucopyranosyloxy)-2,6,20,22-tetrahydroxy-, (2β,3β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (2β,3β,22R)-2,6,20,22-tétrahydroxy-7-oxocholesta-5,8,14-trién-3-yle [French] [ACD/IUPAC Name]
25-deoxycalonysterone 3-O-β-D-glucopyranoside
3-O-(β-D-glucopyranosyl)-2β,3β,6,20,22R-pentahydroxy-cholest-5,8,14-trien-7-one
Brainesteroside C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 859.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.0±6.0 kJ/mol
Flash Point: 271.1±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 53.98
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 52.99
Polar Surface Area: 197 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 446.8±5.0 cm3

Click to predict properties on the Chemicalize site


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