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1,3-DIHYDROXY-2-CARBOMETHOXY-9,10-ANTHRAQUINONE-3-O-BETA-PRIMEVEROSIDE
SpectraBase Compound ID 3n2rBNjnCgR
InChI InChI=1S/C27H28O15/c1-38-25(37)16-13(6-11-15(21(16)33)18(30)10-5-3-2-4-9(10)17(11)29)41-27-24(36)22(34)20(32)14(42-27)8-40-26-23(35)19(31)12(28)7-39-26/h2-6,12,14,19-20,22-24,26-28,31-36H,7-8H2,1H3/t12-,14-,19+,20-,22+,23-,24-,26+,27-/m1/s1
InChIKey KOGRPONKHIUKLH-OETLEKFPSA-N
Mol Weight 592.51 g/mol
Molecular Formula C27H28O15
Exact Mass 592.14282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDfB2eiYPjU
Name 1,3-DIHYDROXY-2-CARBOMETHOXY-9,10-ANTHRAQUINONE-3-O-BETA-PRIMEVEROSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O15
InChI InChI=1S/C27H28O15/c1-38-25(37)16-13(6-11-15(21(16)33)18(30)10-5-3-2-4-9(10)17(11)29)41-27-24(36)22(34)20(32)14(42-27)8-40-26-23(35)19(31)12(28)7-39-26/h2-6,12,14,19-20,22-24,26-28,31-36H,7-8H2,1H3/t12-,14-,19+,20-,22+,23-,24-,26+,27-/m1/s1
InChIKey KOGRPONKHIUKLH-OETLEKFPSA-N
Literature Reference Author S.K.LING,A.KOMORITA,T.TANAKA,T.FUJIOKA,K.MIHASHI,I.KOUNO
Literature Reference Citation CHEM.PHARM.BULL.,50,1035(2002)
Literature Reference DOI 10.1248/cpb.50.1035
Molecular Weight 592.510 g/mol
Solvent DMSO-D6
Source File Reference UWMS6650