Structure database (LMSD)

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LM IDLMST02030161
Common Name17α-hydroxyprogesterone
Systematic Name17-hydroxypregn-4-ene-3,20-dione
Synonyms17-hydroxyprogesterone; 17α-Hydroxy-4-pregnene-3,20-dione; 17α-Hydroxy-
progesterone; 17α-Hydroxyprogesterone; Pregn-4-ene-3,20-dione-17-ol;
hydroxyprogesterone
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 CID6238
KEGG IDC01176
HMDB IDHMDB0000374
CHEBI ID17252
SWISSLIPIDS IDSLM:000485347
InChIKeyDBPWSSGDRRHUNT-CEGNMAFCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-
10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILESC1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(C(C)=O)O)[C@]13[H])CCC(=
O)C=2
MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
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
 logP4.12Molar
Refractivity
92.85