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5.beta.-Carda-14,20(22)-dienolide, 3.beta.-hydroxy-
SpectraBase Compound ID 5xDHoO2GVQV
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-XRBFZTMESA-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 84LS0ikuK3q
Name 5.beta.-Carda-14,20(22)-dienolide, 3.beta.-hydroxy-
Alternate Name(s) Carda-14,20(22)-dienolide, 3-hydroxy-, (3.beta.,5.beta.)- .beta.-anhydrodigitoxigenin 14,15-Anhydrodigitoxigenin 14-Anhydrodigitoxigenin 3-Hydroxycarda-14,20(22)-dienolide 3.beta.-hydroxy-5.beta.-carda-14,20(22)-dienolide Digitoxigenin, .beta.-anhydro-
CAS Registry Number 4321-20-4
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-XRBFZTMESA-N
Molecular Weight 356.506 g/mol
SMILES OC1CC2CCC3C=4C(C(C5=CC(=O)OC5)CC4)(CC[C@@]3(C2(CC1)C)[H])C
SPLASH splash10-001i-9000000000-4558df222b9d4f28c8b2
Source of Spectrum KC-1985-1604-14
Wiley ID 1346161