| Properties | Image |
|---|
| MNX_ID | MNXM105795 |
 |
| reference | chebi:67653 |
| formula | C22H28O7 |
| global charge | 0 |
| mol weight | 404.459 |
| InChIKey | OWZOEAKQPTYTKK-FJSXHZHZSA-N |
| InChI | InChI=1S/C22H28O7/c1-9-11-5-6-12-20-13(27-10(2)23)7-8-19(3,4)14(20)16(25)22(26)21(12,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12+,13+,14-,16+,17+,18?,20+,21+,22+/m1/s1 |
| SMILES | C=C1C(=O)[C@@]23[C@H]4OC5O[C@@]2(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@H](OC(C)=O)[C@]52[C@@H]3CC[C@H]14 |
MNX internals
| InChI (mnx) | InChI=1/C22H28O7/c1-9-11-5-6-12-20-13(27-10(2)23)7-8-19(3,4)14(20)16(25)22(26)21(12,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12+,13+,14-,16+,17+,18?,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:27][C:10]([CH3:2])=[O:23])[CH2:7][CH2:8][C:19]([CH3:3])([CH3:4])[C@H:14]4[C@H:16]([OH:25])[C@@:22]4([OH:26])[C@@:21]3([C:15]1=[O:24])[C@H:17]2[O:28][CH:18]5[O:29]4 |
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