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Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@]1(C)[C@@H](CCC(C)C)OC(O1)(C)C)O)C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,5beta,17beta)-2,3,14-Trihydroxy-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]androst-7-en-6-one | C30H48O6

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

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID9641080

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β,17β)-2,3,14-Trihydroxy-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,17β)-2,3,14-Trihydroxy-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,17β)-2,3,14-Trihydroxy-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, 2,3,14-trihydroxy-17-[(4R,5R)-2,2,4-trimethyl-5-(3-methylbutyl)-1,3-dioxolan-4-yl]-, (2β,3β,5β,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: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.8±6.0 kJ/mol
Flash Point: 190.3±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 353.73
ACD/KOC (pH 5.5): 2322.43
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 353.73
ACD/KOC (pH 7.4): 2322.43
Polar Surface Area: 96 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 425.5±5.0 cm3

Click to predict properties on the Chemicalize site


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