Structure database (LMSD)

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LM IDLMST02030168
Common Name11β-hydroxyprogesterone
Systematic Name11β-hydroxypregn-4-ene-3,20-dione
Synonyms(11β)-11-hydroxypregn-4-ene-3,20-dione; 11β-Hydroxyprogesterone; 21-
deoxycorticosterone
Exact Mass
330.2195 (neutral)    Calculate m/z:
FormulaC21H30O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID101788
KEGG IDC05498
CHEBI ID28247
InChIKeyBFZHCUBIASXHPK-ATWVFEABSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)
11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
SMILESC1CC2[C@@](C)([C@@]3([H])[C@@H](O)C[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)
CCC(=O)C=2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
340.87Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.98Molar
Refractivity
92.78