| Properties | Image |
|---|
| MNX_ID | MNXM1179602 |
 |
| reference | envipathM:...55aabac55e41 |
| formula | C37H47N3O6 |
| global charge | 0 |
| mol weight | 629.798 |
| InChIKey | BMMPJSHNQBTOFX-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H47N3O6/c1-4-7-9-25(6-3)23-45-29-15-17-31(33(43)21-29)36-38-35(27-11-13-28(42)14-12-27)39-37(40-36)32-18-16-30(22-34(32)44)46-24-26(19-20-41)10-8-5-2/h11-18,21-22,25-26,41-44H,4-10,19-20,23-24H2,1-3H3 |
| SMILES | CCCCC(CC)COC1=CC=C(C2=NC(C3=CC=C(O)C=C3)=NC(C3=CC=C(OCC(CCO)CCCC)C=C3O)=N2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C37H47N3O6/c1-4-7-9-25(6-3)23-45-29-15-17-31(33(43)21-29)36-38-35(27-11-13-28(42)14-12-27)39-37(40-36)32-18-16-30(22-34(32)44)46-24-26(19-20-41)10-8-5-2/h11-18,21-22,25-26,41-44H,4-10,19-20,23-24H2,1-3H3/t25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:25]([CH2:6][CH3:3])[CH2:23][O:45][C:29]1=[CH:21][C:33]([OH:43])=[C:31]([C:36]2=[N:40][C:37]([C:32]3=[C:34]([OH:44])[CH:22]=[C:30]([O:46][CH2:24][CH:26]([CH2:10][CH2:8][CH2:5][CH3:2])[CH2:19][CH2:20][OH:41])[CH:16]=[CH:18]3)=[N:39][C:35]([C:27]3=[CH:12][CH:14]=[C:28]([OH:42])[CH:13]=[CH:11]3)=[N:38]2)[CH:17]=[CH:15]1 |
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