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Pregn-15-en-20-one, 17-methyl-, (5.alpha.,17.xi.)-
SpectraBase Compound ID 4dijc1KBNTN
InChI InChI=1S/C22H34O/c1-15(23)21(3)13-11-19-17-9-8-16-7-5-6-12-20(16,2)18(17)10-14-22(19,21)4/h11,13,16-19H,5-10,12,14H2,1-4H3/t16?,17?,18?,19?,20-,21+,22-/m0/s1
InChIKey YPYDJZANAJEMMR-XMQRGBPDSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID M1IrrI4fMp
Name Pregn-15-en-20-one, 17-methyl-, (5.alpha.,17.xi.)-
Alternate Name(s) 17-Methylpregn-15-en-20-one
CAS Registry Number 54411-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O
InChI InChI=1S/C22H34O/c1-15(23)21(3)13-11-19-17-9-8-16-7-5-6-12-20(16,2)18(17)10-14-22(19,21)4/h11,13,16-19H,5-10,12,14H2,1-4H3/t16?,17?,18?,19?,20-,21+,22-/m0/s1
InChIKey YPYDJZANAJEMMR-XMQRGBPDSA-N
Molecular Weight 314.513 g/mol
SMILES [C@@]12([C@](C=CC2C2CCC3[C@](C2CC1)(C)CCCC3)(C(=O)C)C)C
SPLASH splash10-05fu-9740000000-ba38df4ce86cbb9da526
Source of Spectrum SD-1981-0-0
Wiley ID 1315687