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4'H-Cholest-2-eno[3,2-b]oxet-4-one, 2,3-dihydro-, (2.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID 55DEwEknv3z
InChI InChI=1S/C28H46O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-9-10-24-25(29)26-19(16-30-26)15-28(24,5)23(20)13-14-27(21,22)4/h17-24,26H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24+,26+,27-,28-/m1/s1
InChIKey SPRLJHFRRVWLFJ-HLTAZWAZSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hoBLe1gq5T
Name 4'H-Cholest-2-eno[3,2-b]oxet-4-one, 2,3-dihydro-, (2.alpha.,3.alpha.,5.alpha.)-
CAS Registry Number 52322-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-9-10-24-25(29)26-19(16-30-26)15-28(24,5)23(20)13-14-27(21,22)4/h17-24,26H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,24+,26+,27-,28-/m1/s1
InChIKey SPRLJHFRRVWLFJ-HLTAZWAZSA-N
Molecular Weight 414.674 g/mol
SMILES [C@@]12([C@](C(=O)[C@@]3([C@](C2)(CO3)[H])[H])(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C
SPLASH splash10-03dl-0007900000-35331d51cd2d730f10a7
Source of Spectrum F-34-1519-0
Synonyms Cyclopenta[7,8]phenanthro[2,3-b]oxete, 4'H-cholest-2-eno[3,2-b]oxet-4-one deriv. (1R,3aS,3bS,5aR,6aS,8aR,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[2,3-b]oxet-6(6aH)-one 3.beta.-oxetane-5.alpha.-cholestan-4-one
Wiley ID 1375737