Secondary metabolite:3-Deoxyestradiol



EOCID001896
Summary

sCentInDB Chemical identifier: EOCID001896

Chemical name: 3-Deoxyestradiol

Molecular formula: C18H24O

SMILES: O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cccc2

InChI: InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1

InChIKey: MUENRDYXOADTOC-ZBRFXRBCSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Steroids and steroid derivatives

Subclass: Estrane steroids


Synonymous chemical name(s):
3-deoxy-17beta-estradiol


External chemical identifier(s):
CID:228944, CHEMBL194749, CHEMSPIDER:199300, ZINC000003814416, FDASRS:4B7KRX7E7M, SURECHEMBL:SCHEMBL3891911


Chemical structure download

2D:
2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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