| Properties | Image |
|---|
| MNX_ID | MNXM46253 |
 |
| reference | chebi:3579 |
| formula | C20H30O6 |
| global charge | 0 |
| mol weight | 366.454 |
| InChIKey | KBORUIMKALHADL-DXKQOFSOSA-N |
| InChI | InChI=1S/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1 |
| SMILES | C[C@H]1[C@H](O)C(=O)[C@@H]2[C@@]3(C)[C@H](O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]1[C@@]23C |
MNX internals
| InChI (mnx) | InChI=1/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]1[CH2:5][C@H:12]([OH:21])[C@@H:18]([OH:25])[C@@:20]2([CH3:4])[C@H:10]1[CH2:6][C@@H:13]1[C@@:19]3([CH3:3])[C@@H:11]([CH2:7][C:14](=[O:22])[O:26]1)[C@@H:9]([CH3:2])[C@H:15]([OH:23])[C:16](=[O:24])[C@@H:17]32 |
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