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3.alpha.-amino-1.alpha.-hydroxy-5.alpha.-pregnane
SpectraBase Compound ID BEAhMLczlMO
InChI InChI=1S/C21H37NO/c1-4-13-6-8-17-16-7-5-14-11-15(22)12-19(23)21(14,3)18(16)9-10-20(13,17)2/h13-19,23H,4-12,22H2,1-3H3/t13-,14-,15-,16-,17-,18-,19-,20+,21-/m0/s1
InChIKey MSRWJWJFJPQWDI-HYVXQRTGSA-N
Mol Weight 319.5 g/mol
Molecular Formula C21H37NO
Exact Mass 319.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ELTDbeD1fw
Name 3.alpha.-amino-1.alpha.-hydroxy-5.alpha.-pregnane
CAS Registry Number 23931-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37NO
InChI InChI=1S/C21H37NO/c1-4-13-6-8-17-16-7-5-14-11-15(22)12-19(23)21(14,3)18(16)9-10-20(13,17)2/h13-19,23H,4-12,22H2,1-3H3/t13-,14-,15-,16-,17-,18-,19-,20+,21-/m0/s1
InChIKey MSRWJWJFJPQWDI-HYVXQRTGSA-N
Molecular Weight 319.533 g/mol
SMILES O[C@]1(C[C@](C[C@@]2(CC[C@@]3([C@@]([C@@]12C)(CC[C@@]1([C@](CC[C@@]31[H])(CC)[H])C)[H])[H])[H])(N)[H])[H]
SPLASH splash10-00dm-9111000000-80c628d4d29a653d28ac
Source of Spectrum F-25-3084-1
Synonyms Pregnan-1-ol, 3-amino-, (1.alpha.,3.alpha.,5.alpha.)- (1alpha,3alpha,5alpha)-3-aminopregnan-1-ol 5.alpha.-pregnan-1.alpha.-ol, 3.alpha.-amino- Methyl 2,4-dihydroxy-5-(3'-methoxy-6'-methoxy-carbonyl-2',5'-dimethylphehydroxy-1.alpha. amino-3.alpha.(5.alpha.)pregnane
Wiley ID 1319542