John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1ckcTId6gA7 SpectraBase Spectrum ID=29ZzDQbJ2pw

(accessed ).
2-ALPHA,3-BETA-DIHYDROXY-LUP-12-EN-28-OIC-ACID-3-(3',4'-DIHYDROXYBENZOYLESTER)
SpectraBase Compound ID 1ckcTId6gA7
InChI InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(40)30(33(3,4)27(34)13-14-36(28,35)7)44-31(41)21-8-10-24(38)25(39)18-21/h8-10,18,20,22,26-30,38-40H,11-17,19H2,1-7H3,(H,42,43)/t22-,26+,27-,28+,29+,30-,34-,35+,36+,37-/m0/s1
InChIKey SICKXTCVEDRKSA-RALNLNQFSA-N
Mol Weight 608.8 g/mol
Molecular Formula C37H52O7
Exact Mass 608.371304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29ZzDQbJ2pw
Name 2-ALPHA,3-BETA-DIHYDROXY-LUP-12-EN-28-OIC-ACID-3-(3',4'-DIHYDROXYBENZOYLESTER)
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H52O7
InChI InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(40)30(33(3,4)27(34)13-14-36(28,35)7)44-31(41)21-8-10-24(38)25(39)18-21/h8-10,18,20,22,26-30,38-40H,11-17,19H2,1-7H3,(H,42,43)/t22-,26+,27-,28+,29+,30-,34-,35+,36+,37-/m0/s1
InChIKey SICKXTCVEDRKSA-RALNLNQFSA-N
Literature Reference Author A.R.BILIA,I.MORELLI,J.MENDEZ
Literature Reference Citation J.NAT.PROD.,59,297(1996)
Literature Reference DOI 10.1021/np960134j
Molecular Weight 608.816 g/mol
Solvent CDCl3
Source File Reference UWVP2357
SpectraBase Batch ID JgHD5dFSWs6