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Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-
SpectraBase Compound ID nThNoysUHM
InChI InChI=1S/C26H34O6/c1-15(27)31-17-6-9-23(2)18-7-10-24(3)20(16-4-5-22(28)30-14-16)12-21-26(24,32-21)19(18)8-11-25(23,29)13-17/h4-5,14,17-21,29H,6-13H2,1-3H3
InChIKey SMEFDRPJDZWFRJ-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 uqXCiIRdZn
Name Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-
Alternate Name(s) 5a-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-7-yl acetate 3-.beta.,5-Dihydroxy-14,15-.beta.-epoxy-5-.beta.-bufa-20,22-dienolide 3-acetate 5-.beta.-Bufa-20,22-dienolide, 3-.beta.,5-dihydroxy-14,15-.beta.-epoxy-, 3-acetate 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,5-dihydroxy-, 3-acetate Acetylmarinobufagin Acetylmarinobufogenin Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3beta,5beta,15beta)- Marinobufagin, 3-acetyl- NSC 135687
CAS Registry Number 4029-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O6
InChI InChI=1S/C26H34O6/c1-15(27)31-17-6-9-23(2)18-7-10-24(3)20(16-4-5-22(28)30-14-16)12-21-26(24,32-21)19(18)8-11-25(23,29)13-17/h4-5,14,17-21,29H,6-13H2,1-3H3
InChIKey SMEFDRPJDZWFRJ-UHFFFAOYSA-N
Molecular Weight 442.552 g/mol
SMILES OC12C(C)(C3C(C45C(C)(C(CC5O4)C4=COC(C=C4)=O)CC3)CC2)CCC(C1)OC(C)=O
SPLASH splash10-03dl-5954000000-1abbb9745317a8a167aa
Source of Spectrum O-6-630-9
Wiley ID 60186