Found 1 result

Search term: C1[C@]2(C(=C[C@@H]([C@@H]1O)O)C(=O)C=C1[C@@]2(CC[C@]2([C@@]1(CC[C@@H]2[C@H](C)CCCC(C)(C)O)O)C)O)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | hyousterone D | C27H42O6

hyousterone D

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID23076760

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,3α,14β)-2,3,9,14,25-Pentahydroxycholesta-4,7-dien-6-on [German] [ACD/IUPAC Name]
(2α,3α,14β)-2,3,9,14,25-Pentahydroxycholesta-4,7-dien-6-one [ACD/IUPAC Name]
(2α,3α,14β)-2,3,9,14,25-Pentahydroxycholesta-4,7-dién-6-one [French] [ACD/IUPAC Name]
Cholesta-4,7-dien-6-one, 2,3,9,14,25-pentahydroxy-, (2α,3α,14β)- [ACD/Index Name]
hyousterone 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: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 361.4±28.0 °C
Index of Refraction: 1.597
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.17
ACD/KOC (pH 5.5): 707.11
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.17
ACD/KOC (pH 7.4): 707.10
Polar Surface Area: 118 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

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