| Properties | Image |
|---|
| MNX_ID | MNXM1178864 |
 |
| reference | envipathM:...59b7ed282495 |
| formula | C25H30NO4 |
| global charge | 1 |
| mol weight | 408.518 |
| InChIKey | PFJDSGGWPCEVOK-UHFFFAOYSA-O |
| InChI | InChI=1S/C25H29NO4/c27-22-10-6-9-19(15-22)25(29,18-7-2-1-3-8-18)24(28)30-23-16-20-11-12-21(17-23)26(20)13-4-5-14-26/h1-3,6-10,15,20-21,23,29H,4-5,11-14,16-17H2/p+1 |
| SMILES | O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(C1=CC=CC=C1)C1=CC=CC(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H29NO4/c27-22-10-6-9-19(15-22)25(29,18-7-2-1-3-8-18)24(28)30-23-16-20-11-12-21(17-23)26(20)13-4-5-14-26/h1-3,6-10,15,20-21,23,29H,4-5,11-14,16-17H2/t20?,21?,23?,25? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:18]([C:25]([C:19]2=[CH:15][C:22]([O-:27])=[CH:10][CH:6]=[CH:9]2)([C:24](=[O:28])[O:30][CH:23]2[CH2:16][CH:20]3[CH2:11][CH2:12][CH:21]([CH2:17]2)[N+:26]32[CH2:13][CH2:4][CH2:5][CH2:14]2)[OH:29])[CH:8]=[CH:3]1 |
|