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CUSCUTIC_RESINOSIDE_A;(11-S)-HYDROXYHEXADECANOIC_ACID_11-O-ALPHA-L-(4-O-2-R,3-R-NILYLRHAMNOPYRANOSYL)-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1,2-LACTONE
SpectraBase Compound ID J9ms2DLsqje
InChI InChI=1S/C31H54O12/c1-6-14-21-15-12-10-8-7-9-11-13-16-22(33)41-28-27(43-30-25(36)24(35)23(34)19(4)38-30)26(20(5)39-31(28)40-21)42-29(37)17(2)18(3)32/h17-21,23-28,30-32,34-36H,6-16H2,1-5H3
InChIKey MDVUKNMSVMUESC-UHFFFAOYSA-N
Mol Weight 618.8 g/mol
Molecular Formula C31H54O12
Exact Mass 618.361527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2T4tqBn8pmb
Name CUSCUTIC_RESINOSIDE_A;(11-S)-HYDROXYHEXADECANOIC_ACID_11-O-ALPHA-L-(4-O-2-R,3-R-NILYLRHAMNOPYRANOSYL)-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1,2-LACTONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H54O12
InChI InChI=1S/C31H54O12/c1-6-14-21-15-12-10-8-7-9-11-13-16-22(33)41-28-27(43-30-25(36)24(35)23(34)19(4)38-30)26(20(5)39-31(28)40-21)42-29(37)17(2)18(3)32/h17-21,23-28,30-32,34-36H,6-16H2,1-5H3
InChIKey MDVUKNMSVMUESC-UHFFFAOYSA-N
Literature Reference Author K.UMEHARA,K.NEMOTO,T.OHKUBO,T.MIYASE,M.DEGAWA,H.NOGUCHI
Literature Reference Citation PLANTA.MED.,70,299(2004)
Molecular Weight 618.763 g/mol
Solvent C5D5N
Source File Reference UWMZ48308