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3-BETA-HYDROXY-5-ALPHA-CARDA-14(15),20(22)-DIENOLIDE;BETA-ANHYDROEPIDIGITOXIGENIN
SpectraBase Compound ID kTIpsGMSsW
InChI InChI=1S/C23H32O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h6,11,15-18,20,24H,3-5,7-10,12-13H2,1-2H3/t15-,16-,17?,18+,20?,22-,23+/m0/s1
InChIKey FXWZKNUSMJAEKJ-DOLXQFLQSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0kffqhgOFr
Name .beta.-anhydro-epi-digitoxigenin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h6,11,15-18,20,24H,3-5,7-10,12-13H2,1-2H3/t15-,16-,17?,18+,20?,22-,23+/m0/s1
InChIKey FXWZKNUSMJAEKJ-DOLXQFLQSA-N
Molecular Weight 356.506 g/mol
SMILES O[C@@]1(C[C@@]2(CCC3C=4[C@@]([C@@](C5=CC(=O)OC5)(CC4)[H])(CCC3[C@]2(CC1)C)C)[H])[H]
SPLASH splash10-0a6u-9724000000-a30af1c4720249ab521a
Source of Spectrum G4-62-1067-1
Synonyms (3beta,5alpha)-3-hydroxycarda-14,20(22)-dienolide 3.beta.-Dydroxy-5.alpha.-carda.-8,14,16,20922)-tetraenolide
Wiley ID 1607955