Structure database (LMSD)

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LM IDLMST02010019
Common Name-
Systematic Nameestrane-3α,17α-diol
Synonyms-
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC18 steroids (estrogens) and derivatives [ST0201]
LIPIDBANK IDSST0216
PubChem CID9547219
InChIKeyQNKATSBSLLYTMH-IRGUFUGLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)2
0/h11-17,19-20H,2-10H2,1H3/t11-,12+,13?,14+,15+,16-,17+,18-/m0/s1
SMILESC1C2[C@@]3([H])CC[C@]4(C)[C@H](O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@H](O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
288.10Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.93Molar
Refractivity
80.15