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(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]

View entire compound with spectra: 1 MS (GC)

(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]
SpectraBase Compound ID 6XV6NaJph31
InChI InChI=1S/C29H50S2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h20-26H,6-19H2,1-5H3/t21-,22?,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey QVYVTRILHICWFE-QGCDCANBSA-N
Mol Weight 462.8 g/mol
Molecular Formula C29H50S2
Exact Mass 462.335394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bhsjeb58u7R
Name (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]
CAS Registry Number 29575-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50S2
InChI InChI=1S/C29H50S2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h20-26H,6-19H2,1-5H3/t21-,22?,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey QVYVTRILHICWFE-QGCDCANBSA-N
Molecular Weight 462.839 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC2(SCCS2)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-07c6-9200200000-0442e43866cb208bba07
Source of Spectrum J-51-3512-4
Synonyms (8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]
Wiley ID 1391188