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HELVETICOSIDE;STROPHANTHIDIN-3-O-BETA-D-DIGITOXOPYRANOSIDE
SpectraBase Compound ID I8ULw2zVfJV
InChI InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20?,21?,22+,24+,25-,26-,27+,28+,29+/m1/s1
InChIKey QBILRDAMJUPXCX-GRHSUSSXSA-N
Mol Weight 534.6 g/mol
Molecular Formula C29H42O9
Exact Mass 534.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvXSq9VvjP5
Name HELVETICOSIDE;STROPHANTHIDIN-3-O-BETA-D-DIGITOXOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O9
InChI InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20?,21?,22+,24+,25-,26-,27+,28+,29+/m1/s1
InChIKey QBILRDAMJUPXCX-GRHSUSSXSA-N
Literature Reference Author T.NAKAMURA,Y.GODA,S.SAKAI,K.KONDO,H.AKIYAMA,M.TOYODA
Literature Reference Citation PHYTOCHEM.,49,2097(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00421-X
Molecular Weight 534.647 g/mol
Solvent CD3OD
Source File Reference UWLU887