Found 1 result

Search term: C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@]4([H])[C@](C)([C@H]5CC[C@@H](CC)CO[C@@H]([C@H](CC)CO)O5)O)=O)([H])C[C@@H](O)[C@@H](O)C1 (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,17beta)-17-[(1R)-1-{(2R,4R,7R)-7-Ethyl-2-[(2R)-1-hydroxy-2-butanyl]-1,3-dioxocan-4-yl}-1-hydroxyethyl]-2,3,14-trihydroxyandrost-7-en-6-one | C33H54O8

(2β,3β,5β,17β)-17-[(1R)-1-{(2R,4R,7R)-7-Ethyl-2-[(2R)-1-hydroxy-2-butanyl]-1,3-dioxocan-4-yl}-1-hydroxyethyl]-2,3,14-trihydroxyandrost-7-en-6-one

  • Molecular FormulaC33H54O8
  • Average mass578.777 Da
  • Monoisotopic mass578.381897 Da
  • ChemSpider ID115267355

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2β,3β,5β,17β)-17-[(1R)-1-{(2R,4R,7R)-7-Ethyl-2-[(2R)-1-hydroxy-2-butanyl]-1,3-dioxocan-4-yl}-1-hydroxyethyl]-2,3,14-trihydroxyandrost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,17β)-17-[(1R)-1-{(2R,4R,7R)-7-Ethyl-2-[(2R)-1-hydroxy-2-butanyl]-1,3-dioxocan-4-yl}-1-hydroxyethyl]-2,3,14-trihydroxyandrost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,17β)-17-[(1R)-1-{(2R,4R,7R)-7-Éthyl-2-[(2R)-1-hydroxy-2-butanyl]-1,3-dioxocan-4-yl}-1-hydroxyéthyl]-2,3,14-trihydroxyandrost-7-én-6-one [French] [ACD/IUPAC Name]
Androst-7-en-6-one, 17-[(1R)-1-[(2R,4R,7R)-7-ethyl-2-[(1R)-1-(hydroxymethyl)propyl]-1,3-dioxocan-4-yl]-1-hydroxyethyl]-2,3,14-trihydroxy-, (2β,3β,5β,17β)- [ACD/Index Name]
(22R,25R,28R,32R)-2β,3β,14α,20R-33-pentahydroxy-25-ethyl-28β-(1-hydroxybutan-2-yl)-6-oxo-5β-cholest-7-ene-27,29-dioxocan
Cyathsterone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 223.7±26.4 °C
Index of Refraction: 1.577
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.20
ACD/KOC (pH 5.5): 737.23
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.20
ACD/KOC (pH 7.4): 737.22
Polar Surface Area: 137 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 468.9±5.0 cm3

Click to predict properties on the Chemicalize site


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