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15alpha-hydroxy-17beta-estradiol

PropertiesImage
MNX_IDMNXM150216 Image of MNXM150216
referencechebi:87593
formulaC18H24O3
global charge0
mol weight288.387
InChIKeyQVQMPLATUBCZMQ-GVLSGGHMSA-N
InChIInChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18-/m1/s1
SMILESC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1[C@@H](O)C[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18-/m1/s1 Image of MNXM150216
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:13]3[C:12]4=[CH:5][CH:3]=[C:11]([OH:19])[CH:8]=[C:10]4[CH2:2][CH2:4][C@H:14]3[C@@H:17]1[C@@H:15]([OH:20])[CH2:9][C@@H:16]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87593
chebi:87593
QVQMPLATUBCZMQ-GVLSGGHMSA-N 		15alpha-hydroxy-17beta-estradiol
(15alpha,17beta)-estra-1(10),2,4-triene-3,15,17-triol
15alpha-Hydroxyestradiol
15alpha-hydroxyestradiol
3,15alpha,17beta-trihydroxyestra-1,3,5(10)-triene
Estra-1,3,5(10)-triene-3,15alpha,17-triol
Estra-1,3,5(10)-triene-3,15alpha,17beta-triol
estra-1(10),2,4-triene-3,15alpha,17beta-triol
estra-1,3,5(10)-triene-3,15alpha,17beta-triol

SLM:000485707
slm:000485707
QVQMPLATUBCZMQ-GVLSGGHMSA-N 		15alpha-hydroxy-17beta-estradiol