| Properties | Image |
|---|
| MNX_ID | MNXM102890 |
 |
| reference | chebi:69659 |
| formula | C21H30O7 |
| global charge | 0 |
| mol weight | 394.464 |
| InChIKey | BHEXSLGHYNIAGL-WDCRBBJTSA-N |
| InChI | InChI=1S/C21H30O7/c1-9(2)19(24)28-14-8-15(26-12(5)22)21(6)17(14)10(3)7-13-16(18(21)23)11(4)20(25)27-13/h9-10,13-18,23H,4,7-8H2,1-3,5-6H3/t10-,13+,14+,15-,16-,17-,18-,21-/m1/s1 |
| SMILES | C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](OC(=O)C(C)C)C[C@@H](OC(C)=O)[C@@]3(C)[C@H](O)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C21H30O7/c1-9(2)19(24)28-14-8-15(26-12(5)22)21(6)17(14)10(3)7-13-16(18(21)23)11(4)20(25)27-13/h9-10,13-18,23H,4,7-8H2,1-3,5-6H3/t10-,13+,14+,15-,16-,17-,18-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C:19](=[O:24])[O:28][C@H:14]1[CH2:8][C@@H:15]([O:26][C:12]([CH3:5])=[O:22])[C@:21]2([CH3:6])[C@@H:17]1[C@H:10]([CH3:3])[CH2:7][C@H:13]1[C@@H:16]([C:11](=[CH2:4])[C:20](=[O:25])[O:27]1)[C@H:18]2[OH:23] |
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