| Properties | Image |
|---|
| MNX_ID | MNXM108755 |
 |
| reference | chebi:66451 |
| formula | C28H33NO7 |
| global charge | 0 |
| mol weight | 495.572 |
| InChIKey | ZAAJNCSDZGGPSE-GNSXTQCCSA-N |
| InChI | InChI=1S/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(35-18(2)30)23(27(17,21)4)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3/b12-11+/t21-,23+,24+,26-,27+,28+/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](OC(=O)C2=CC=CN=C2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(35-18(2)30)23(27(17,21)4)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3/b12-11+/t21-,23+,24+,26-,27+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]1=[CH:8][CH2:6][CH2:10][C@@H:21]2[C@@:26]([CH3:3])(/[CH:12]=[CH:11]/[C:19]3=[CH:14][C:22](=[O:31])[O:34][CH2:16]3)[C@@:28]([CH3:5])([OH:33])[C@@H:24]([O:35][C:18]([CH3:2])=[O:30])[C@H:23]([O:36][C:25]([C:20]3=[CH:15][N:29]=[CH:13][CH:7]=[CH:9]3)=[O:32])[C@@:27]12[CH3:4] |
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