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3-selena-5.alpha.-cholestane
SpectraBase Compound ID 56XNu4TsMXa
InChI InChI=1S/C26H46Se/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27-16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey BAYWNNXJPGFJEL-FHNVJLOUSA-N
Mol Weight 437.6 g/mol
Molecular Formula C26H46Se
Exact Mass 438.276473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ploJHb6H9T
Name 3-selena-5.alpha.-cholestane
CAS Registry Number 125303-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46Se
InChI InChI=1S/C26H46Se/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27-16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey BAYWNNXJPGFJEL-FHNVJLOUSA-N
Molecular Weight 437.626 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[Se]C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-000i-0003900000-a73bcb7cb2e49d30519d
Source of Spectrum J-55-2174-20
Synonyms (4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-4a,6a-dimethylhexadecahydrocyclopenta[5,6]naphtho[2,1-c]selenopyran
Wiley ID 1384242