Found 1 result

Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2[C@@H](C[C@]2([C@]1(CC[C@@H]2[C@]1(C)[C@@H](CCC(C)C)OC(O1)(C)C)O)C)O)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,5beta,11alpha,17beta)-2,3,11,14-Tetrahydroxy-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]androst-7-en-6-one | C30H48O7

(2β,3β,5β,11α,17β)-2,3,11,14-Tetrahydroxy-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]androst-7-en-6-one

  • Molecular FormulaC30H48O7
  • Average mass520.698 Da
  • Monoisotopic mass520.340027 Da
  • ChemSpider ID10264490

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2β,3β,5β,11α,17β)-2,3,11,14-Tetrahydroxy-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]androst-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,11α,17β)-2,3,11,14-Tetrahydroxy-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]androst-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,11α,17β)-2,3,11,14-Tétrahydroxy-17-[(4R,5R)-2,2,4-triméthyl-5-(3-méthylbutyl)-1,3-dioxolan-4-yl]androst-7-én-6-one [French] [ACD/IUPAC Name]
Androst-7-en-6-one, 2,3,11,14-tetrahydroxy-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]-, (2β,3β,5β,11α,17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 202.0±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.33
ACD/KOC (pH 5.5): 558.73
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.33
ACD/KOC (pH 7.4): 558.73
Polar Surface Area: 116 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 423.3±5.0 cm3

Click to predict properties on the Chemicalize site


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