| SpectraBase Compound ID | EoVxJDqhbSd |
|---|---|
| InChI | InChI=1S/C45H62O5/c1-28(29-11-12-31-26-32(48-9)14-13-30(31)25-29)38(46)50-37-18-19-42(6)35(41(37,4)5)17-20-44(8)36(42)16-15-33-34-27-40(2,3)21-23-45(34,39(47)49-10)24-22-43(33,44)7/h11-15,25-26,28,34-37H,16-24,27H2,1-10H3/t28-,34-,35-,36+,37-,42-,43+,44+,45-/m0/s1 |
| InChIKey | QDUYAYDVEIJABS-GPBFUZNYSA-N |
| Mol Weight | 683.0 g/mol |
| Molecular Formula | C45H62O5 |
| Exact Mass | 682.459725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdzXyS7W346 |
|---|---|
| Name | OLEANOYL-NAPROXENATE-METHYLESTER |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H62O5 |
| InChI | InChI=1S/C45H62O5/c1-28(29-11-12-31-26-32(48-9)14-13-30(31)25-29)38(46)50-37-18-19-42(6)35(41(37,4)5)17-20-44(8)36(42)16-15-33-34-27-40(2,3)21-23-45(34,39(47)49-10)24-22-43(33,44)7/h11-15,25-26,28,34-37H,16-24,27H2,1-10H3/t28-,34-,35-,36+,37-,42-,43+,44+,45-/m0/s1 |
| InChIKey | QDUYAYDVEIJABS-GPBFUZNYSA-N |
| Literature Reference Author | C.THEODULOZ,C.DELPORTE,G.VALENZUELA-BARRA,X.SILVA,S.CADIZ,F. BUSTAMANTE,M.W.PERTI |
| Literature Reference Citation | MOLECULES,20,11219(2015) |
| Literature Reference DOI | 10.3390/molecules200611219 |
| Molecular Weight | 682.984 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA3239 |