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Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-
SpectraBase Compound ID 2Oqq6UEGaIo
InChI InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3
InChIKey SCULJPGYOQQXTK-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O6
Exact Mass 442.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wFLHiCCJIC
Name Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-
Alternate Name(s) 7-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-2-yl acetate 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,16.beta.-dihydroxy-, 16-acetate Cinobufagin Cinobufagine
CAS Registry Number 470-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O6
InChI InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3
InChIKey SCULJPGYOQQXTK-UHFFFAOYSA-N
Molecular Weight 442.552 g/mol
SMILES OC1CC2C(C)(C3C(C45C(C)(C(C(C5O4)OC(C)=O)C4=COC(C=C4)=O)CC3)CC2)CC1
SPLASH splash10-053u-5953000000-dd1ce6cd67f495c74adf
Source of Spectrum O-6-620-3
Wiley ID 60188