| SpectraBase Compound ID | FTzwqV1J9E |
|---|---|
| InChI | InChI=1S/C40H56O8/c1-24-14-19-40(34(44)45)21-20-37(4)26(33(40)39(24,6)46)10-12-30-35(2)17-16-31(42)36(3,29(35)15-18-38(30,37)5)23-48-32(43)13-9-25-8-11-27(41)28(22-25)47-7/h8-11,13,22,24,29-31,33,41-42,46H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,29?,30-,31+,33-,35+,36?,37-,38-,39-,40+/m1/s1 |
| InChIKey | YVIFDAOBWCJGOU-LFKMIARUSA-N |
| Mol Weight | 664.9 g/mol |
| Molecular Formula | C40H56O8 |
| Exact Mass | 664.397519 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K6nm5WUwi96 |
|---|---|
| Name | 3.beta.,19-Dihydroxy-24-(trans)-ferulyloxy-urs-12-en-28-oic Acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O8 |
| InChI | InChI=1S/C40H56O8/c1-24-14-19-40(34(44)45)21-20-37(4)26(33(40)39(24,6)46)10-12-30-35(2)17-16-31(42)36(3,29(35)15-18-38(30,37)5)23-48-32(43)13-9-25-8-11-27(41)28(22-25)47-7/h8-11,13,22,24,29-31,33,41-42,46H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,29?,30-,31+,33-,35+,36?,37-,38-,39-,40+/m1/s1 |
| InChIKey | YVIFDAOBWCJGOU-LFKMIARUSA-N |
| Molecular Weight | 664.880 g/mol |
| SMILES | Oc1c(cc(\C=C\C(OCC2(C3CC[C@]4([C@]5(C([C@]6([C@@](C(=O)O)(CC5)CC[C@]([C@]6(O)C)(C)[H])[H])=CC[C@@]4([C@]3(CC[C@@]2(O)[H])C)[H])C)C)C)=O)cc1)OC |
| SPLASH | splash10-004i-0900000000-c57d0ca6e93a455a1c4c |
| Source of Spectrum | X2-50-72-3 |
| Synonyms | (3beta,9alpha)-3,19-dihydroxy-23-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}urs-12-en-28-oic acid |
| Wiley ID | 1602145 |