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6,19-Cyclopregn-4-ene-3,20-dione
SpectraBase Compound ID CgFZdh1SW7r
InChI InChI=1S/C21H28O2/c1-12(22)16-3-4-17-15-9-13-11-21(8-5-14(23)10-19(13)21)18(15)6-7-20(16,17)2/h10,13,15-18H,3-9,11H2,1-2H3/t13-,15-,16+,17-,18-,20+,21-/m0/s1
InChIKey XECORXMTPZIVAL-ZTKRAVRWSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAWpdkBIUjc
Name 6,19-Cyclopregn-4-ene-3,20-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-12(22)16-3-4-17-15-9-13-11-21(8-5-14(23)10-19(13)21)18(15)6-7-20(16,17)2/h10,13,15-18H,3-9,11H2,1-2H3/t13-,15-,16+,17-,18-,20+,21-/m0/s1
InChIKey XECORXMTPZIVAL-ZTKRAVRWSA-N
Molecular Weight 312.453 g/mol
SMILES [C@@]123C([C@@](C[C@@]4([C@@]3(CC[C@@]3([C@@](C(=O)C)(CC[C@@]43[H])[H])C)[H])[H])(C1)[H])=CC(=O)CC2
SPLASH splash10-0006-9043000000-a52c46e9fa611d01244c
Source of Spectrum F5-5-2456-4
Synonyms (6S,8S,9S,10S,13S,14S,17S)-17-acetyl-13-methyl-1,2,7,8,9,11,12,13,14,15,16,17-dodecahydro-6,10-methanocyclopenta[a]phenanthren-3(6H)-one
Wiley ID 1733250