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Cholest-1-en-3-one, 4-nitro-, (4.alpha.,5.alpha.)-
SpectraBase Compound ID H60lU8ZvGWP
InChI InChI=1S/C27H43NO3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28(30)31)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h14,16-23,25H,6-13,15H2,1-5H3/t18-,19+,20-,21+,22+,23+,25+,26-,27-/m1/s1
InChIKey UOMMCEQRZHMMKV-XWAVZNOASA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwyboWviD2D
Name Cholest-1-en-3-one, 4-nitro-, (4.alpha.,5.alpha.)-
CAS Registry Number 119829-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28(30)31)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h14,16-23,25H,6-13,15H2,1-5H3/t18-,19+,20-,21+,22+,23+,25+,26-,27-/m1/s1
InChIKey UOMMCEQRZHMMKV-XWAVZNOASA-N
Molecular Weight 429.645 g/mol
SMILES [C@@]12([C@]([C@](N(=O)=O)(C(C=C2)=O)[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 splash10-05gj-9811100000-be3acbd15034a43ef624
Source of Spectrum AJ-62-1344-6
Synonyms (4alpha,5alpha)-4-nitrocholest-1-en-3-one 4.alpha.-nitro-5.alpha.-cholest-1-en-3-one
Wiley ID 1381244