6β-Hydroxyestradiol-17β

Chemical Formula:

C₁₈H₂₄O₃

Molecular Weight:

288.386 Daltons

Monoisotopic Mass:

288.1725446367 Daltons

SMILES:

CC34(CCC2(C1(=CC=C(C=C1C(CC2C3CCC4O)O)O)))

InChI:

1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1

InChIKey:

QZZRQURPSRWTLG-UXCAXZQLSA-N

Databases

MetaCyc: CPD-1077

RefMet: 6beta-Hydroxyestradiol-17beta

LIPID MAPS: LMST02010031

ChemSpider: 389159

PubChem (CID): 440168

ChEBI: 16784

KEGG: C03935

Seed: cpd02447

MetaNetX: MNXM3881