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7-O-(4-BETA-D-GLUCOPYRANOSYLOXY-3-METHOXYBENZOYL)-SECOLOGANOLIC-ACID
SpectraBase Compound ID Cik6l2GTwhv
InChI InChI=1S/C30H40O18/c1-3-13-14(15(26(39)40)11-44-28(13)48-30-25(38)23(36)21(34)19(10-32)47-30)6-7-43-27(41)12-4-5-16(17(8-12)42-2)45-29-24(37)22(35)20(33)18(9-31)46-29/h3-5,8,11,13-14,18-25,28-38H,1,6-7,9-10H2,2H3,(H,39,40)/t13-,14+,18-,19+,20-,21+,22+,23-,24-,25+,28+,29-,30-/m1/s1
InChIKey VHFHOBRIZGOORR-MQPQNMEKSA-N
Mol Weight 688.6 g/mol
Molecular Formula C30H40O18
Exact Mass 688.221464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgjBsDOzxDE
Name 7-O-(4-BETA-D-GLUCOPYRANOSYLOXY-3-METHOXY-BENZOYL)-SECOLOGANOLIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O18
InChI InChI=1S/C30H40O18/c1-3-13-14(15(26(39)40)11-44-28(13)48-30-25(38)23(36)21(34)19(10-32)47-30)6-7-43-27(41)12-4-5-16(17(8-12)42-2)45-29-24(37)22(35)20(33)18(9-31)46-29/h3-5,8,11,13-14,18-25,28-38H,1,6-7,9-10H2,2H3,(H,39,40)/t13-,14+,18-,19+,20-,21+,22+,23-,24-,25+,28+,29-,30-/m1/s1
InChIKey VHFHOBRIZGOORR-MQPQNMEKSA-N
Literature Reference Author K.MACHIDA,H.SASAKI,T.IIJIMA,M.KIKUCHI
Literature Reference Citation CHEM.PHARM.BULL.,50,1041(2002)
Literature Reference DOI 10.1248/cpb.50.1041
Molecular Weight 688.637 g/mol
Solvent CD3OD
Source File Reference UWMS6657