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(-)-A-NOR-17-TERT.-BUTOXY-4-THIA-9-BETA-ESTRA-2,5(10),6,11(12)-PENTAENE
SpectraBase Compound ID 6sca3fEmDve
InChI InChI=1S/C20H26OS/c1-19(2,3)21-18-8-6-16-14-5-7-17-15(10-12-22-17)13(14)9-11-20(16,18)4/h5,7,9-14,16,18H,6,8H2,1-4H3/t13-,14-,16+,18+,20+/m1/s1
InChIKey PMQUKOVSMIIZCQ-XQRBHQRSSA-N
Mol Weight 314.49 g/mol
Molecular Formula C20H26OS
Exact Mass 314.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbos0O1QLI7
Name 4-nor-17-(t-Butoxy)-4-thia-9.beta.-estra-2,5(10),6,11(12)-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26OS
InChI InChI=1S/C20H26OS/c1-19(2,3)21-18-8-6-16-14-5-7-17-15(10-12-22-17)13(14)9-11-20(16,18)4/h5,7,9-14,16,18H,6,8H2,1-4H3/t13-,14-,16+,18+,20+/m1/s1
InChIKey PMQUKOVSMIIZCQ-XQRBHQRSSA-N
Molecular Weight 314.487 g/mol
SMILES [C@@]12([C@]([C@@]3(C=Cc4c([C@@]3(C=C2)[H])ccs4)[H])(CC[C@@]1(OC(C)(C)C)[H])[H])C
SPLASH splash10-0a4r-4093000000-62f0da7b4049a40ea532
Source of Spectrum B-57-639-7
Wiley ID 1551485