17β-estradiol

Chemical Formula:

C₁₈H₂₄O₂

Molecular Weight:

272.386 Daltons

Monoisotopic Mass:

272.1776300146 Daltons

SMILES:

CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))

InChI:

1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

InChIKey:

VOXZDWNPVJITMN-ZBRFXRBCSA-N

Synonyms

Databases

MetaCyc: CPD-352

MetaboLights: MTBLC16469

HMDB: HMDB00151

LIPID MAPS: LMST02010001

DRUGBANK: DB00783

ChemSpider: 5554

PubChem (CID): 5757

ChEBI: 16469

KEGG: C00951

CAS: 50-28-2

RefMet: beta-Estradiol Beta-estradiol

Seed: cpd00702

MetaNetX: MNXM358

3DMET: B01358

NIKKAJI: J4.100I

PDB-CCD: EST

LIPIDBANK: SST0064 SST0013

CHEMBL: CHEMBL135

PupChem (SID): 4202