| SpectraBase Compound ID | LXUfnSsXnke |
|---|---|
| InChI | InChI=1S/C37H52O5/c1-32(2)20-21-37(31(40)41)19-14-27-35(6)16-12-25-33(3,4)29(42-30(39)23-8-10-24(38)11-9-23)15-18-34(25,5)26(35)13-17-36(27,7)28(37)22-32/h8-11,14,25-26,28-29,38H,12-13,15-22H2,1-7H3,(H,40,41)/t25?,26?,28?,29-,34-,35+,36+,37+/m0/s1 |
| InChIKey | LWRHKINOBJNENZ-GFSNRKGISA-N |
| Mol Weight | 576.8 g/mol |
| Molecular Formula | C37H52O5 |
| Exact Mass | 576.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQXNaGsNpCB |
|---|---|
| Name | ALEURITOLIC-ACID-3-PARA-HYDROXYBENZOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O5 |
| InChI | InChI=1S/C37H52O5/c1-32(2)20-21-37(31(40)41)19-14-27-35(6)16-12-25-33(3,4)29(42-30(39)23-8-10-24(38)11-9-23)15-18-34(25,5)26(35)13-17-36(27,7)28(37)22-32/h8-11,14,25-26,28-29,38H,12-13,15-22H2,1-7H3,(H,40,41)/t25?,26?,28?,29-,34-,35+,36+,37+/m0/s1 |
| InChIKey | LWRHKINOBJNENZ-GFSNRKGISA-N |
| Literature Reference Author | J.A.BEUTLER,Y.KASHMAN,M.TISCHLER,J.H.CARDELLINA,G.N.GRAY,M.J .CURRENS,M.E.WALL,M. |
| Literature Reference Citation | J.NAT.PROD.,58,1039(1995) |
| Literature Reference DOI | 10.1021/np50121a008 |
| Molecular Weight | 576.817 g/mol |
| Solvent | CDCl3:CD3OD=2:1 |
| Source File Reference | UWVP6650 |