| Properties | Image |
|---|
| MNX_ID | MNXM105805 |
 |
| reference | chebi:67663 |
| formula | C22H30O8 |
| global charge | 0 |
| mol weight | 422.474 |
| InChIKey | RIGOPXZOWRKRQX-XYKAAUHVSA-N |
| InChI | InChI=1S/C22H30O8/c1-9-11-5-6-12-20-13(29-10(2)23)7-8-19(3,4)14(20)17(26)22(28,30-18(20)27)21(12,15(9)24)16(11)25/h11-17,24-26,28H,1,5-8H2,2-4H3/t11-,12+,13+,14-,15-,16-,17+,20+,21+,22+/m1/s1 |
| SMILES | C=C1[C@H]2CC[C@H]3[C@@]45C(=O)O[C@@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@@]3([C@@H]1O)[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C22H30O8/c1-9-11-5-6-12-20-13(29-10(2)23)7-8-19(3,4)14(20)17(26)22(28,30-18(20)27)21(12,15(9)24)16(11)25/h11-17,24-26,28H,1,5-8H2,2-4H3/t11-,12+,13+,14-,15-,16-,17+,20+,21+,22+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:9]1[C@H:11]2[CH2:5][CH2:6][C@H:12]3[C@:20]45[C@@H:13]([O:29][C:10]([CH3:2])=[O:23])[CH2:7][CH2:8][C:19]([CH3:3])([CH3:4])[C@H:14]4[C@H:17]([OH:26])[C@@:22]([OH:28])([C@@:21]3([C@@H:15]1[OH:24])[C@@H:16]2[OH:25])[O:30][C:18]5=[O:27] |
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