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)O)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)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one | C30H48O8

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

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID113385082
  • 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)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-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)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-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)-5-(3-hydroxy-3-méthylbutyl)-2,2,4-triméthyl-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)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 213.4±25.0 °C
Index of Refraction: 1.589
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.00
ACD/KOC (pH 5.5): 125.49
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.00
ACD/KOC (pH 7.4): 125.49
Polar Surface Area: 137 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 420.4±5.0 cm3

Click to predict properties on the Chemicalize site






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