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Digitoxigenin, (3.beta.-OH,5.beta.-H)
SpectraBase Compound ID 6dUbbtkJJUY
InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15?,16?,17?,18-,19-,21-,22-,23+/m0/s1
InChIKey XZTUSOXSLKTKJQ-YJKNZABLSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNhTox5tjPZ
Name Digitoxigenin, (3.beta.-OH,5.beta.-H)
CAS Registry Number 143-62-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15?,16?,17?,18-,19-,21-,22-,23+/m0/s1
InChIKey XZTUSOXSLKTKJQ-YJKNZABLSA-N
Literature Reference Tetrahedron Lett. 717 (1977).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3