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rac-(8.alpha.,9.beta.,13.alpha.,14.alpha.,17.beta.)-Estra-1(10),2,4,6-tetraene-14,17-diol
SpectraBase Compound ID STIgfvIU0l
InChI InChI=1S/C18H22O2/c1-17-10-8-14-13-5-3-2-4-12(13)6-7-15(14)18(17,20)11-9-16(17)19/h2-7,14-16,19-20H,8-11H2,1H3/t14-,15-,16-,17-,18+/m0/s1
InChIKey NWENBDNKMKMPOT-KFGODFMUSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IJj2h9oTqO
Name rac-(8.alpha.,9.beta.,13.alpha.,14.alpha.,17.beta.)-Estra-1(10),2,4,6-tetraene-14,17-diol
Alternate Name(s) (8S*,9R*,13S*,14R*,17S*)-Estra-1(10),2,4,6-tetraene-14,17-diol (8S,9R,13S,14R,17S)-13-methyl-9,11,12,13,14,15,16,17-octahydro-8H-cyclopenta[a]phenanthrene-14,17-diol
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Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-17-10-8-14-13-5-3-2-4-12(13)6-7-15(14)18(17,20)11-9-16(17)19/h2-7,14-16,19-20H,8-11H2,1H3/t14-,15-,16-,17-,18+/m0/s1
InChIKey NWENBDNKMKMPOT-KFGODFMUSA-N
Literature Reference DOI 10.1002/adsc.200700283
Molecular Weight 270.372 g/mol
SMILES O[C@@]1([C@@]2(CC[C@]3(c4c(C=C[C@@]3([C@@]2(CC1)O)[H])cccc4)[H])C)[H]
SPLASH splash10-054o-3910000000-6f373e858a7fb8412966
Source of Spectrum ASC-350-68-7b
Wiley ID 1765673