| Properties | Image |
|---|
| MNX_ID | MNXM101686 |
 |
| reference | chebi:69653 |
| formula | C27H35NO2 |
| global charge | 0 |
| mol weight | 405.582 |
| InChIKey | WMTRIRCBLPHXBU-IWDSGUOSSA-N |
| InChI | InChI=1S/C27H35NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| SMILES | C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@]24C)N3C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H35NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[CH2:11][C@@H:23]2[C@@:27]3([C@@H:16]([CH3:2])[C@H:24]4[C@H:22]([CH2:13][C@H:21]5[C@@H:19]6[CH2:6][CH2:5][C:17]7=[CH:12][C:18](=[O:29])[CH:7]=[CH:9][C@:25]7([CH3:3])[C:20]6=[CH:8][CH2:10][C@@:26]54[CH3:4])[N:28]3[CH2:14]1)[O:30]2 |
|