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HYCANDINIC-ACID-ESTER-1

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HYCANDINIC-ACID-ESTER-1
SpectraBase Compound ID IKg08HnLrLL
InChI InChI=1S/C21H28O9/c1-3-4-9-29-20(26)21(27)11-15(23)19(25)17(12-21)30-18(24)8-6-13-5-7-14(22)16(10-13)28-2/h5-8,10,15,17,19,22-23,25,27H,3-4,9,11-12H2,1-2H3/b8-6+/t15-,17-,19-,21+/m0/s1
InChIKey VMOJOFCRHPIIGU-DYDGGXLMSA-N
Mol Weight 424.45 g/mol
Molecular Formula C21H28O9
Exact Mass 424.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYWstfgPEri
Name HYCANDINIC-ACID-ESTER-1
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O9
InChI InChI=1S/C21H28O9/c1-3-4-9-29-20(26)21(27)11-15(23)19(25)17(12-21)30-18(24)8-6-13-5-7-14(22)16(10-13)28-2/h5-8,10,15,17,19,22-23,25,27H,3-4,9,11-12H2,1-2H3/b8-6+/t15-,17-,19-,21+/m0/s1
InChIKey VMOJOFCRHPIIGU-DYDGGXLMSA-N
Literature Reference Author E.J.GENTRY,H.B.JAMPANI,A.KESHAVARZ-SHOKRI,M.D.MORTON,D.VANDE RVELDE,H.TELIKEPALLI
Literature Reference Citation J.NAT.PROD.,61,1187(1998)
Literature Reference DOI 10.1021/np9701889
Molecular Weight 424.448 g/mol
Solvent CDCl3
Source File Reference UWCP3875