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12-Keto-digitoxigenin-acetat, (3.beta.-oac,5.beta.-H)
SpectraBase Compound ID KdtTvDdoQUp
InChI InChI=1S/C25H34O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-20,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,23+,24+,25+/m1/s1
InChIKey SZLQWLYPPPPWKF-FSWSGJMRSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GREP4akZhIN
Name 12-KETO-DIGITOXIGENIN-ACETAT,(3-BETA-OAC,5-BETA-H)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O6
InChI InChI=1S/C25H34O6/c1-14(26)31-17-6-8-23(2)16(11-17)4-5-19-20(23)12-21(27)24(3)18(7-9-25(19,24)29)15-10-22(28)30-13-15/h10,16-20,29H,4-9,11-13H2,1-3H3/t16-,17+,18-,19-,20+,23+,24+,25+/m1/s1
InChIKey SZLQWLYPPPPWKF-FSWSGJMRSA-N
Literature Reference Author F.ABE,T.YAMAUCHI
Literature Reference Citation CHEM.PHARM.BULL.,30,1183(1982)
Literature Reference DOI 10.1248/cpb.30.1183
Molecular Weight 430.541 g/mol
Solvent PYRIDINE-D5
Source File Reference UNIW8475