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16beta,17beta-estriol

Properties

Image

Occurences in reactions

MNX_ID

MNXM163130

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

formula

C₁₈H₂₄O₃

charge

mass

288.17254

reference

chebi:87620

InChIKey

PROQIPRRNZUXQM-ZMSHIADSSA-N

InChI

InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1

SMILES

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87620 chebi:87620	16beta,17beta-estriol (16beta,17beta)-estra-1(10),2,4-triene-3,16,17-triol 16-Epiestriol 16beta-hydroxyestradiol Actriol Epioestriolum Estra-1,3,5(10)-triene-3,16beta,17beta-triol epiestriol epiestriolum estra-1(10),2,4-triene-3,16beta,17beta-triol estra-1,3,5(10)-triene-3,16beta,17-triol estra-1,3,5(10)-triene-3,16beta,17beta-triol
hmdb:HMDB0000347	16b-Hydroxyestradiol (16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol (16beta,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol (1S,10R,11S,13S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol 16 alpha Hydroxy estradiol 16-Epi-estriol 16-Epiestratriol 16-Epiestriol 16-alpha-Hydroxy-estradiol 16alpha,17beta Estriol 16alpha,17beta-Estriol 16b,17b-Estriol 16b-Hydroxy-17b-estradiol 16beta Hydroxy estradiol 16beta,17beta-Estriol 16beta,17beta-estriol 16beta-Hydroxy-17beta-estradiol 16beta-Hydroxy-estradiol 16beta-hydroxy-17beta-estradiol 16beta-hydroxyestradiol Actriol Epiestriol Epiestriolum Epioestriolum Estra-1,3,5(10)-triene-3,16b,17-triol Estra-1,3,5(10)-triene-3,16b,17b-triol Estra-1,3,5(10)-triene-3,16beta,17-triol Estra-1,3,5(10)-triene-3,16beta,17beta-triol Estriol Ovestin
SLM:000501377 slm:000501377	16beta-hydroxy-17beta-estradiol
lipidmaps:LMST02010006 lipidmapsM:LMST02010006	estra-1,3.5(10)-triene-3,16beta,17beta-triol O3 ST 18:3
hmdb:HMDB00347	secondary/obsolete/fantasy identifier