Structure database (LMSD)

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LM IDLMST05020043
Common NameEpitestosterone sulfate
Systematic Name[(2R,10R,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0ω{2,7}.0ω{11,
15}]heptadec-6-en-14-yl]oxidanesulfonic acid
Synonyms-
Exact Mass
368.1657 (neutral)    Calculate m/z:
FormulaC19H28O5S
CategorySterol Lipids [ST]
Main ClassSteroid conjugates [ST05]
Sub ClassSulfates [ST0502]
PubChem CID53481658
HMDB IDHMDB0013230
InChIKeyWAQBISPOEAOCOG-FZPSTPAASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(1
5,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15?,16?,17-,18-,19-/
m0/s1
SMILESC[C@@]12[C@@H](OS(O)(=O)=O)CCC1[C@@]1(CCC3[C@](C)(CCC(=O)C=3)C1CC2)[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
345.00Topological Polar
Surface Area
80.67Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP5.24Molar
Refractivity
93.55