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17-O-(PARA-HYDROXYPHENYLETHANOL)-CENTAUREPENSIN
SpectraBase Compound ID 1L0MoSG4EY1
InChI InChI=1S/C27H32Cl2O8/c1-14-10-19(36-25(33)26(3,12-28)35-9-8-16-4-6-17(30)7-5-16)21-15(2)24(32)37-23(21)22-18(14)11-20(31)27(22,34)13-29/h4-7,18-23,30-31,34H,1-2,8-13H2,3H3/t18-,19-,20-,21?,22-,23-,26?,27+/m0/s1
InChIKey VLUKWHIZVPGABG-IKRYUQAPSA-N
Mol Weight 555.5 g/mol
Molecular Formula C27H32Cl2O8
Exact Mass 554.147423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HW2CbsagYdf
Name 17-O-(PARA-HYDROXYPHENYLETHANOL)-CENTAUREPENSIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32Cl2O8
InChI InChI=1S/C27H32Cl2O8/c1-14-10-19(36-25(33)26(3,12-28)35-9-8-16-4-6-17(30)7-5-16)21-15(2)24(32)37-23(21)22-18(14)11-20(31)27(22,34)13-29/h4-7,18-23,30-31,34H,1-2,8-13H2,3H3/t18-,19-,20-,21?,22-,23-,26?,27+/m0/s1
InChIKey VLUKWHIZVPGABG-IKRYUQAPSA-N
Literature Reference Author J.Q.DAI,Z.F.HOU,Q.X.ZHU,L.YANG,Y.LI
Literature Reference Citation J.CHIN.CHEM.SOC.,48,249(2001)
Literature Reference DOI 10.1002/jccs.200100040
Molecular Weight 555.452 g/mol
Solvent ACETONE-D6
Source File Reference UWMS3369