Structure database (LMSD)

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LM IDLMST02030192
Common Name11-Dehydrocorticosterone
Systematic Name-
Synonyms-
Exact Mass
344.1988 (neutral)    Calculate m/z:
FormulaC21H28O4
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID13783449
HMDB IDHMDB0004029
SWISSLIPIDS IDSLM:000485386
InChIKeyFUFLCEKSBBHCMO-IWBQTIMDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)1
0-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16?,19+,20-,21-/m0/s
1
SMILES[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)C(C(=O)CO)CC[C@@]21[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
347.02Topological Polar
Surface Area
71.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.16Molar
Refractivity
93.17