| Properties | Image |
|---|
| MNX_ID | MNXM106099 |
 |
| reference | chebi:69007 |
| formula | C26H35NO3 |
| global charge | 0 |
| mol weight | 409.57 |
| InChIKey | MBOKEBRRTSUMOO-CVRFEKSNSA-N |
| InChI | InChI=1S/C26H35NO3/c1-23(2)19-7-6-18-17(24(19,3)11-10-20(23)28)9-13-25(4)16(8-12-26(18,25)5)15-14-21(29)27-22(15)30/h6,14,16-17,19H,7-13H2,1-5H3,(H,27,29,30)/t16-,17-,19-,24+,25-,26+/m0/s1 |
| SMILES | CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(=O)NC5=O)CC[C@]4(C)C3=CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C26H35NO3/c1-23(2)19-7-6-18-17(24(19,3)11-10-20(23)28)9-13-25(4)16(8-12-26(18,25)5)15-14-21(29)27-22(15)30/h6,14,16-17,19H,7-13H2,1-5H3,(H,27,29,30)/t16-,17-,19-,24+,25-,26+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:23]1([CH3:2])[C@@H:19]2[CH2:7][CH:6]=[C:18]3[C@H:17]([CH2:9][CH2:13][C@@:25]4([CH3:4])[C@H:16]([C:15]5=[CH:14][C:21]([OH:29])=[N:27][C:22]5=[O:30])[CH2:8][CH2:12][C@:26]34[CH3:5])[C@@:24]2([CH3:3])[CH2:11][CH2:10][C:20]1=[O:28] |
|