Structure database (LMSD)

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LM IDLMST02030153
Common Name(20R)-20-hydroxypregn-4-en-3-one
Systematic Name20R-hydroxypregn-4-en-3-one
Synonyms20β-dihydroprogesterone; 20β-hydroxy-4-pregnen-3-one; 20β-hydroxypregn-4-en-
3-one
Exact Mass
316.2402 (neutral)    Calculate m/z:
FormulaC21H32O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID92747
HMDB IDHMDB0003069
CHEBI ID36729
SWISSLIPIDS IDSLM:000485322
InChIKeyRWBRUCCWZPSBFC-SJOKZOANSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-
21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
SMILESC1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4([C@@H](C)O)[H])[C@]13[H]
)CCC(=O)C=2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
334.72Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.80Molar
Refractivity
92.39