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Androstan-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl mercaptole, (3.alpha.)-
SpectraBase Compound ID IcIkeLtLRX4
InChI InChI=1S/C21H34OS2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h14-18,22H,3-13H2,1-2H3/t14?,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey DBOLFQQALFUYEI-ABQKJKLCSA-N
Mol Weight 366.6 g/mol
Molecular Formula C21H34OS2
Exact Mass 366.205108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HYjDiOuuZ1
Name Androstan-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl mercaptole, (3.alpha.)-
CAS Registry Number 90761-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34OS2
InChI InChI=1S/C21H34OS2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h14-18,22H,3-13H2,1-2H3/t14?,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey DBOLFQQALFUYEI-ABQKJKLCSA-N
Molecular Weight 366.622 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4(C5(SCCS5)CC[C@]4([C@@]3(CCC2C1)[H])[H])C)[H])C)[H]
SPLASH splash10-014i-0839000000-7ab158bda1aeef3f4e90
Source of Spectrum K-117-1691-0
Synonyms (1'S,2'S,5'R,10'R,11'S,15'S)-2',15'-dimethylspiro[1,3-dithiolane-2,14'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-5'-ol 3.alpha.-hydroxyandrostan-17-one 1,2-ethanediyl dithioacetal Spiro[17H-cyclopenta[a]phenanthrene-17,2'-[1,3]dithiolane], androstan-17-one deriv.
Wiley ID 1352057