Found 1 result

Search term: C1[C@]2([C@@](C[C@H]([C@H]1O)O)(C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](C[C@H](C(C)(C)O)C)O)O)O)C)O)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one | C28H46O8

(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one

  • Molecular FormulaC28H46O8
  • Average mass510.660 Da
  • Monoisotopic mass510.319275 Da
  • ChemSpider ID88297499

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one
(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-én-6-one [French] [ACD/IUPAC Name]
50299-45-1 [RN]
Ergost-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2β,3β,5β,22R,24R)- [ACD/Index Name]
(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
DACRYSTERONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 411.7±29.4 °C
Index of Refraction: 1.605
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.51
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 38.93
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 38.93
Polar Surface Area: 159 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 388.9±5.0 cm3

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