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Pregnan-20-ol, 18-azido-, (5.alpha.,20R)-
SpectraBase Compound ID 3irv0PiRld6
InChI InChI=1S/C21H35N3O/c1-14(25)17-8-9-19-16-7-6-15-5-3-4-11-20(15,2)18(16)10-12-21(17,19)13-23-24-22/h14-19,25H,3-13H2,1-2H3/t14-,15-,16-,17-,18+,19+,20+,21+/m1/s1
InChIKey PEQIXIKEYUAUQO-JRINFJIASA-N
Mol Weight 345.5 g/mol
Molecular Formula C21H35N3O
Exact Mass 345.278013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 381pHbWdKYn
Name Pregnan-20-ol, 18-azido-, (5.alpha.,20R)-
Alternate Name(s) (5alpha,20R)-18-azidopregnan-20-ol 18-Azido-20R-hydroxy-5.alpha.-pregnane
CAS Registry Number 53913-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35N3O
InChI InChI=1S/C21H35N3O/c1-14(25)17-8-9-19-16-7-6-15-5-3-4-11-20(15,2)18(16)10-12-21(17,19)13-23-24-22/h14-19,25H,3-13H2,1-2H3/t14-,15-,16-,17-,18+,19+,20+,21+/m1/s1
InChIKey PEQIXIKEYUAUQO-JRINFJIASA-N
Molecular Weight 345.531 g/mol
SMILES O[C@@]([C@@]1([C@@]2([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC1)[H])CN=[N+]=[N-])[H])(C)[H]
SPLASH splash10-0fka-0095000000-4c30ed5eaccf9afc35c8
Source of Spectrum F-34-1534-0
Wiley ID 1338779