Structure database (LMSD)

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LM IDLMST02030159
Common Nameprogesterone (W)
Systematic Namepregn-4-ene-3,20-dione
Synonyms(S)-4-Pregnene-3,20-dione;(S)-Pregn-4-en-3,20-dione;(S)-Progesterone; 17α-
progesterone; 4-Pregnene-3,20-dione; Agolutin; Akrolutin; Crinone; δ(4)-
pregnene-3,20-dione; Gelbkoerperhormon; PROGESTERONE; Progesteron;
Progesterone; corpus luteum hormone; luteohormone; progesterone
Exact Mass
314.2246 (neutral)    Calculate m/z:
FormulaC21H30O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID5994
KEGG IDC00410
HMDB IDHMDB0001830
CHEBI ID17026
SWISSLIPIDS IDSLM:000390128
CAYMAN ID15876
InChIKeyRJKFOVLPORLFTN-LEKSSAKUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H30O2/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/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
SMILESC1CC2[C@@](C)([C@@]3([H])CC[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C
=2
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
332.08Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.72Molar
Refractivity
90.88