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16-thia-5.alpha.-androstane 16,16-dioxide
SpectraBase Compound ID 9RBrJ9m5sIP
InChI InChI=1S/C18H30O2S/c1-17-10-8-15-14(16(17)11-21(19,20)12-17)7-6-13-5-3-4-9-18(13,15)2/h13-16H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+/m1/s1
InChIKey CSQNBANHZWEUBW-LMMHAMTPSA-N
Mol Weight 310.5 g/mol
Molecular Formula C18H30O2S
Exact Mass 310.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WnyCc3Qyjx
Name 16-thia-5.alpha.-androstane 16,16-dioxide
CAS Registry Number 125329-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O2S
InChI InChI=1S/C18H30O2S/c1-17-10-8-15-14(16(17)11-21(19,20)12-17)7-6-13-5-3-4-9-18(13,15)2/h13-16H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+/m1/s1
InChIKey CSQNBANHZWEUBW-LMMHAMTPSA-N
Molecular Weight 310.496 g/mol
SMILES C1S(C[C@]2([C@]3([C@](CC[C@]12C)([C@]1(CCCC[C@@]1(CC3)[H])C)[H])[H])[H])(=O)=O
SPLASH splash10-0gvk-8097000000-ad62b119b39781d263ad
Source of Spectrum J-55-2176-51
Synonyms (3aS,3bR,5aR,9aS,9bS,11aS)-9a,11a-dimethylhexadecahydrophenanthro[1,2-c]thiophene 2,2-dioxide
Wiley ID 1311644