| Properties | Image |
|---|
| MNX_ID | MNXM104787 |
 |
| reference | chebi:67666 |
| formula | C22H30O6 |
| global charge | 0 |
| mol weight | 390.476 |
| InChIKey | TZECSBJPAFKEQJ-FTQYQNBDSA-N |
| InChI | InChI=1S/C22H30O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14-,15-,16+,18-,20+,21-,22+/m0/s1 |
| SMILES | C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C22H30O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14-,15-,16+,18-,20+,21-,22+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:11]1[C@H:13]2[CH2:5][CH2:6][C@H:14]3[C@@:20]45[CH2:10][O:27][C@:22]([OH:26])([C@@H:18]([OH:25])[C@@H:16]4[C:19]([CH3:3])([CH3:4])[CH2:8][CH2:7][C@@H:15]5[O:28][C:12]([CH3:2])=[O:23])[C@:21]3([CH2:9]2)[C:17]1=[O:24] |
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