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BOUCEROSIDE_ANO;12-O-BENZOYL_DIHYDROBOUCERIN_3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRAN
SpectraBase Compound ID TZmudISOFM
InChI InChI=1S/C49H76O15/c1-25(50)32-18-20-49(54)33-16-15-30-21-31(17-19-47(30,5)34(33)22-37(48(32,49)6)62-45(53)29-13-11-10-12-14-29)61-38-23-35(55-7)42(27(3)58-38)63-39-24-36(56-8)43(28(4)59-39)64-46-41(52)44(57-9)40(51)26(2)60-46/h10-14,25-28,30-44,46,50-52,54H,15-24H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33?,34?,35+,36+,37-,38+,39-,40-,41-,42-,43+,44-,46+,47+,48+,49+/m1/s1
InChIKey KDWCVPQWIDTNJV-UFZCPQBYSA-N
Mol Weight 905.1 g/mol
Molecular Formula C49H76O15
Exact Mass 904.518422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L10p19K6Ucb
Name BOUCEROSIDE_ANO;12-O-BENZOYL_DIHYDROBOUCERIN_3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRAN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H76O15
InChI InChI=1S/C49H76O15/c1-25(50)32-18-20-49(54)33-16-15-30-21-31(17-19-47(30,5)34(33)22-37(48(32,49)6)62-45(53)29-13-11-10-12-14-29)61-38-23-35(55-7)42(27(3)58-38)63-39-24-36(56-8)43(28(4)59-39)64-46-41(52)44(57-9)40(51)26(2)60-46/h10-14,25-28,30-44,46,50-52,54H,15-24H2,1-9H3/t25-,26-,27-,28+,30+,31+,32-,33?,34?,35+,36+,37-,38+,39-,40-,41-,42-,43+,44-,46+,47+,48+,49+/m1/s1
InChIKey KDWCVPQWIDTNJV-UFZCPQBYSA-N
Literature Reference Author T.TANAKA,S.TSUKAMOTO,K.HAYASHI
Literature Reference Citation PHYTOCHEM.,29,229(1990)
Literature Reference DOI 10.1016/0031-9422(90)89040-G
Molecular Weight 905.133 g/mol
Solvent C5D5N
Source File Reference UWMZ25514