Structure database (LMSD)

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LM IDLMST02010027
Common Name2-hydroxyestradiol
Systematic Nameestra-1,3,5(10)-triene-2,3,17β-triol
Synonyms-
Exact Mass
288.1725 (neutral)    Calculate m/z:
FormulaC18H24O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC18 steroids (estrogens) and derivatives [ST0201]
PubChem CID247304
KEGG IDC05301
HMDB IDHMDB0000338
CHEBI ID28744
SWISSLIPIDS IDSLM:000485705
CAYMAN ID13019
InChIKeyDILDHNKDVHLEQB-XSSYPUMDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(1
0)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
SMILESC1(O)=CC2[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC=2C=C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings1Rotatable Bonds0
 van der Waals
Molecular Volume
278.07Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP3.60Molar
Refractivity
80.91