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Cholest-2-ene-3-d, (5.alpha.)-
SpectraBase Compound ID 2aSFtn8BTb2
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,19-25H,8-18H2,1-5H3/t20-,21+,22-,23+,24-,25-,26-,27+/m0/s1/i6D
InChIKey UTGYMZAUDAYPOM-RZETVFKTSA-N
Mol Weight 371.7 g/mol
Molecular Formula C27H452D
Exact Mass 371.366228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpEvDMvuVNV
Name Cholest-2-ene-3-d, (5.alpha.)-
CAS Registry Number 72457-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45D
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,19-25H,8-18H2,1-5H3/t20-,21+,22-,23+,24-,25-,26-,27+/m0/s1/i6D
InChIKey UTGYMZAUDAYPOM-RZETVFKTSA-N
Molecular Weight 371.671 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC=C([2D])C4)C)[H])[H])(CC[C@@]1([C@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-01b9-0069000000-fafd290faa98d4454949
Source of Spectrum KC-1986-1072-2
Synonyms [3-d]-5.alpha.-cholest-2-ene
Wiley ID 1354788