| SpectraBase Compound ID | AqBPE1GiYpa |
|---|---|
| InChI | InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-26-34(5)15-12-25-33(3,4)29(39)24(43-30(40)22-8-10-23(38)11-9-22)20-36(25,7)27(34)13-16-35(26,6)28(37)21-32/h8-11,14,24-25,27-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,25?,27?,28?,29+,34+,35-,36+,37-/m1/s1 |
| InChIKey | QNPDXTIZTMEDPN-ODHVOXSDSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C37H52O6 |
| Exact Mass | 592.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oknMs55fA6 |
|---|---|
| Name | 2-ALPHA-HYDROXYALEURITOLIC-ACID-2-PARA-HYDROXYBENZOATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O6 |
| InChI | InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-26-34(5)15-12-25-33(3,4)29(39)24(43-30(40)22-8-10-23(38)11-9-22)20-36(25,7)27(34)13-16-35(26,6)28(37)21-32/h8-11,14,24-25,27-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,25?,27?,28?,29+,34+,35-,36+,37-/m1/s1 |
| InChIKey | QNPDXTIZTMEDPN-ODHVOXSDSA-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 | 592.816 g/mol |
| Solvent | CDCl3:CD3OD=2:1 |
| Source File Reference | UWVP6652 |