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5.alpha.,14.beta.-Pregnan-15-one
SpectraBase Compound ID KjJwwU2UmRz
InChI InChI=1S/C21H34O/c1-4-14-13-18(22)19-16-9-8-15-7-5-6-11-20(15,2)17(16)10-12-21(14,19)3/h14-17,19H,4-13H2,1-3H3/t14-,15+,16+,17-,19-,20-,21+/m0/s1
InChIKey IJFGLPBXLYRFEJ-ZPRQWLIFSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VSPIWNgGmf
Name 5.alpha.,14.beta.-Pregnan-15-one
CAS Registry Number 14304-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-4-14-13-18(22)19-16-9-8-15-7-5-6-11-20(15,2)17(16)10-12-21(14,19)3/h14-17,19H,4-13H2,1-3H3/t14-,15+,16+,17-,19-,20-,21+/m0/s1
InChIKey IJFGLPBXLYRFEJ-ZPRQWLIFSA-N
Molecular Weight 302.502 g/mol
SMILES [C@@]12([C@]3([C@]([C@@]4(C)CCCC[C@@]4(CC3)[H])([H])CC[C@@]2([C@](CC)([H])CC1=O)C)[H])[H]
SPLASH splash10-056u-9810000000-fe14b72efbc607b11baa
Source of Spectrum SD-1981-0-0
Synonyms (5alpha,14beta)-pregnan-15-one
Wiley ID 1305251