Structure database (LMSD)

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LM IDLMST02030204
Common NameDihydrocortisol
Systematic Name-
Synonyms-
Exact Mass
364.2250 (neutral)    Calculate m/z:
FormulaC21H32O5
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID164838
HMDB IDHMDB0003259
SWISSLIPIDS IDSLM:000485678
InChIKeyACSFOIGNUQUIGE-AIPUTVCKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,
2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+
,20+,21+/m1/s1
SMILES[C@@]12([H])CC[C@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@](O)(C(
CO)=O)CC[C@@]21[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
361.09Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP2.72Molar
Refractivity
96.68