| SpectraBase Compound ID | 2DMGNuBN7Q8 |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20+,21+,22-,23+,24+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | RQWXHGLRDYGNGZ-KTHZQANYSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Exb4Ed6saYX |
|---|---|
| Name | EUSCAPHIC-ACID-METHYLESTER |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20+,21+,22-,23+,24+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | RQWXHGLRDYGNGZ-KTHZQANYSA-N |
| Literature Reference Author | S.S.LEE,S.N.SHY,K.C.S.LIU |
| Literature Reference Citation | PHYTOCHEM.,46,549(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00313-0 |
| Molecular Weight | 502.735 g/mol |
| Sample ID | 45446 |
| Solvent | CDCl3 |