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1,3,6-TRIHYDROXY-2-HYDROMETHYL-9,10-ANTHRAQUINONE-3-O-BETA-PRIMEVEROSIDE
SpectraBase Compound ID 31Lcrvr2Z7q
InChI InChI=1S/C26H28O15/c27-5-12-14(4-11-16(19(12)32)18(31)9-2-1-8(28)3-10(9)17(11)30)40-26-24(37)22(35)21(34)15(41-26)7-39-25-23(36)20(33)13(29)6-38-25/h1-4,13,15,20-29,32-37H,5-7H2/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1
InChIKey SWVHEMRKGGBKIZ-WFLOGZPDSA-N
Mol Weight 580.5 g/mol
Molecular Formula C26H28O15
Exact Mass 580.14282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gdqy4KEMa4L
Name 1,3,6-TRIHYDROXY-2-HYDROMETHYL-9,10-ANTHRAQUINONE-3-O-BETA-PRIMEVEROSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O15
InChI InChI=1S/C26H28O15/c27-5-12-14(4-11-16(19(12)32)18(31)9-2-1-8(28)3-10(9)17(11)30)40-26-24(37)22(35)21(34)15(41-26)7-39-25-23(36)20(33)13(29)6-38-25/h1-4,13,15,20-29,32-37H,5-7H2/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1
InChIKey SWVHEMRKGGBKIZ-WFLOGZPDSA-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 580.499 g/mol
Solvent DMSO-D6
Source File Reference UWMS6653