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BETULIN-3-BETA-CAFFEATE
SpectraBase Compound ID HRPKTRMcdL6
InChI InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1
InChIKey VOQSZICWRNPAMF-IUGYEWCASA-N
Mol Weight 604.9 g/mol
Molecular Formula C39H56O5
Exact Mass 604.412775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Sk4v860sKk
Name LUP-20(29)-EN-28-OL-3-BETA-YL-CAFFEATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H56O5
InChI InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26-,27+,30-,31+,32-,34+,36-,37+,38+,39+/m0/s1
InChIKey VOQSZICWRNPAMF-IUGYEWCASA-N
Literature Reference Author A.PATRA,S.K.CHAUDHURI,S.K.PANDA
Literature Reference Citation J.NAT.PROD.,51,217(1988)
Literature Reference DOI 10.1021/np50056a004
Molecular Weight 604.871 g/mol
Solvent CDCl3
Source File Reference UWBK400