| Properties | Image |
|---|
| MNX_ID | MNXM104908 |
 |
| reference | chebi:70357 |
| formula | C22H32O6 |
| global charge | 0 |
| mol weight | 392.492 |
| InChIKey | JZFWRUQOQHVXDM-UDTDVKRRSA-N |
| InChI | InChI=1S/C22H32O6/c1-12(10-23)14-5-6-16-15(9-14)18(26)19(27)20-21(16,3)8-7-17(25)22(20,4)11-28-13(2)24/h10,14-17,19-20,25,27H,1,5-9,11H2,2-4H3/t14-,15-,16-,17+,19-,20+,21+,22-/m1/s1 |
| SMILES | C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@@H](O)CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C22H32O6/c1-12(10-23)14-5-6-16-15(9-14)18(26)19(27)20-21(16,3)8-7-17(25)22(20,4)11-28-13(2)24/h10,14-17,19-20,25,27H,1,5-9,11H2,2-4H3/t14-,15-,16-,17+,19-,20+,21+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:12]([CH:10]=[O:23])[C@@H:14]1[CH2:5][CH2:6][C@@H:16]2[C@@H:15]([CH2:9]1)[C:18](=[O:26])[C@@H:19]([OH:27])[C@H:20]1[C@@:21]2([CH3:3])[CH2:8][CH2:7][C@H:17]([OH:25])[C@@:22]1([CH3:4])[CH2:11][O:28][C:13]([CH3:2])=[O:24] |
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