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Lup-20(29)-en-28-ol-3.beta.-yl-caffeate
SpectraBase Compound ID 5rDTzot86sU
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-CIBMBJQPSA-N
Mol Weight 604.9 g/mol
Molecular Formula C39H56O5
Exact Mass 604.412775 g/mol
Enantiomer InChIKey VOQSZICWRNPAMF-RKFUEZFUSA-N
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Solvent CDCl3

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