| Properties | Image |
|---|
| MNX_ID | MNXM729453 |
 |
| reference | sabiorkM:5386 |
| formula | C23H30N2O5 |
| global charge | 0 |
| mol weight | 414.502 |
| InChIKey | ZDKMPOJNYNVYLA-FCAYFTLSSA-N |
| InChI | InChI=1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/t17-,18+,19+,21+,22-,23-/m0/s1 |
| SMILES | CC[C@]12C=CCN3CC[C@]4(C5=CC=C(OC)C=C5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 |
MNX internals
| InChI (mnx) | InChI=1/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/t17-,18+,19+,21+,22-,23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@:21]12[CH:9]=[CH:6][CH2:11][N:25]3[CH2:12][CH2:10][C@:22]4([C:15]5=[CH:8][CH:7]=[C:14]([O:29][CH3:3])[CH:13]=[C:16]5[N:24]([CH3:2])[C@H:18]4[C@:23]([C:20](=[O:27])[O:30][CH3:4])([OH:28])[C@@H:19]1[OH:26])[C@H:17]23 |
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