Structure database (LMSD)

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LM IDLMST05010033
Common Name15-hydroxynorandrostene-3,17-dione glucuronide
Systematic Name-
Synonyms-
Exact Mass
464.2046 (neutral)    Calculate m/z:
FormulaC24H32O9
CategorySterol Lipids [ST]
Main ClassSteroid conjugates [ST05]
Sub ClassGlucuronides [ST0501]
PubChem CID44263360
HMDB IDHMDB0010353
InChIKeyADQUXZRKOKKULD-CZOXBATISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)2
6)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3
,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1
SMILES[C@]12(CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)C(=O)C[C@H](O[C@@H]3O[C@H](C(
O)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]21[H])[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings5Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
430.51Topological Polar
Surface Area
152.66Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
9
 logP2.30Molar
Refractivity
114.75