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HIRSUTISSIMISIDE-A;FORMONONETIN-7-O-BETA-D-(6''-ETHYLMALONYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID DUZHzIy7r1E
InChI InChI=1S/C27H28O12/c1-3-35-21(28)11-22(29)37-13-20-24(31)25(32)26(33)27(39-20)38-16-8-9-17-19(10-16)36-12-18(23(17)30)14-4-6-15(34-2)7-5-14/h4-10,12,20,24-27,31-33H,3,11,13H2,1-2H3/t20-,24-,25+,26-,27-/m0/s1
InChIKey WBHHUJMFEZNDBL-NBBGBEJASA-N
Mol Weight 544.51 g/mol
Molecular Formula C27H28O12
Exact Mass 544.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nMPHUPuu2s
Name HIRSUTISSIMISIDE-A;FORMONONETIN-7-O-BETA-D-(6''-ETHYLMALONYL)-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O12
InChI InChI=1S/C27H28O12/c1-3-35-21(28)11-22(29)37-13-20-24(31)25(32)26(33)27(39-20)38-16-8-9-17-19(10-16)36-12-18(23(17)30)14-4-6-15(34-2)7-5-14/h4-10,12,20,24-27,31-33H,3,11,13H2,1-2H3/t20-,24-,25+,26-,27-/m0/s1
InChIKey WBHHUJMFEZNDBL-NBBGBEJASA-N
Literature Reference Author J.CHENG,Y.Y.ZHAO,B.WANG,L.QIAO,H.LIANG
Literature Reference Citation CHEM.PHARM.BULL.,53,419(2005)
Literature Reference DOI 10.1248/cpb.53.419
Molecular Weight 544.512 g/mol
Sample ID 33238
Solvent DMSO-D6