| Properties | Image |
|---|
| MNX_ID | MNXM102421 |
 |
| reference | chebi:69868 |
| formula | C24H34O9 |
| global charge | 0 |
| mol weight | 466.527 |
| InChIKey | ROPQJIBJNYFSAT-ILXDFJSXSA-N |
| InChI | InChI=1S/C24H34O9/c1-13-7-19(32-15(3)27)24(12-31-14(2)26)21-17(5-6-23(24,29)11-25)33-18(9-22(13,21)4)16-8-20(28)30-10-16/h8,13,17-19,21,25,29H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1 |
| SMILES | CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C)C[C@H](C4=CC(=O)OC4)O[C@H](CC[C@]1(O)CO)[C@H]32 |
MNX internals
| InChI (mnx) | InChI=1/C24H34O9/c1-13-7-19(32-15(3)27)24(12-31-14(2)26)21-17(5-6-23(24,29)11-25)33-18(9-22(13,21)4)16-8-20(28)30-10-16/h8,13,17-19,21,25,29H,5-7,9-12H2,1-4H3/t13-,17-,18-,19+,21-,22+,23+,24-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:13]1[CH2:7][C@H:19]([O:32][C:15]([CH3:3])=[O:27])[C@:24]2([CH2:12][O:31][C:14]([CH3:2])=[O:26])[C@@H:21]3[C@@H:17]([CH2:5][CH2:6][C@@:23]2([CH2:11][OH:25])[OH:29])[O:33][C@@H:18]([C:16]2=[CH:8][C:20](=[O:28])[O:30][CH2:10]2)[CH2:9][C@@:22]13[CH3:4] |
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