Structure database (LMSD)

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LM IDLMST02030134
Common Name5α-dihydrodeoxycorticosterone
Systematic Name21-hydroxy-5α-pregnane-3,20-dione
Synonyms-
Exact Mass
332.2351 (neutral)    Calculate m/z:
FormulaC21H32O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
AbbrevST 21:2;O3
PubChem CID6451493
KEGG IDC18040
CHEBI ID81468
InChIKeyUSPYDUPOCUYHQL-KVHKMPIWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1
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SMILES
[C@@]12([H])CC[C@@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
343.51Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP4.06Molar
Refractivity
92.81