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URS-3-BETA-O-CINNAMOYL-12-ENE;BETA-AMYRIN-CINNAMATE
SpectraBase Compound ID 1VelD3WyRBw
InChI InChI=1S/C39H56O2/c1-26-18-21-36(5)24-25-38(7)29(34(36)27(26)2)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-28-12-10-9-11-13-28/h9-15,17,26-27,30-32,34H,16,18-25H2,1-8H3/b17-14+/t26-,27+,30-,31+,32-,34-,36+,37-,38+,39+/m0/s1
InChIKey SKSWXHZBFRPYAH-ACEKXXPRSA-N
Mol Weight 556.9 g/mol
Molecular Formula C39H56O2
Exact Mass 556.428031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4hNn1iTG72
Name URS-3-BETA-O-CINNAMOYL-12-ENE;BETA-AMYRIN-CINNAMATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H56O2
InChI InChI=1S/C39H56O2/c1-26-18-21-36(5)24-25-38(7)29(34(36)27(26)2)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-28-12-10-9-11-13-28/h9-15,17,26-27,30-32,34H,16,18-25H2,1-8H3/b17-14+/t26-,27+,30-,31+,32-,34-,36+,37-,38+,39+/m0/s1
InChIKey SKSWXHZBFRPYAH-ACEKXXPRSA-N
Literature Reference Author A.D.S.BARRETO,M.G.D.CARVALHO,I.D.A.NERY,L.GONZAGA,M.A.C.KAPL AN
Literature Reference Citation J.BRAZ.CHEM.SOC.,9,430(1998)
Literature Reference DOI 10.1590/s0103-50531998000500004
Molecular Weight 556.872 g/mol
Solvent CDCl3
Source File Reference UWMS5518