| Properties | Image |
|---|
| MNX_ID | MNXM1185996 |
 |
| reference | envipathM:...5bb303d19940 |
| formula | C42H57N3O8 |
| global charge | 0 |
| mol weight | 731.931 |
| InChIKey | HZPCZGYOGMUILV-UHFFFAOYSA-N |
| InChI | InChI=1S/C42H57N3O8/c1-6-9-12-14-23-51-34-20-17-30(37(48)27(34)4)40-43-41(31-18-21-35(28(5)38(31)49)52-24-15-13-10-7-2)45-42(44-40)32-19-22-36(33(25-46)39(32)50)53-26-29(47)16-11-8-3/h17-22,29,46-50H,6-16,23-26H2,1-5H3 |
| SMILES | CCCCCCOC1=CC=C(C2=NC(C3=CC=C(OCCCCCC)C(C)=C3O)=NC(C3=CC=C(OCC(O)CCCC)C(CO)=C3O)=N2)C(O)=C1C |
MNX internals
| InChI (mnx) | InChI=1/C42H57N3O8/c1-6-9-12-14-23-51-34-20-17-30(37(48)27(34)4)40-43-41(31-18-21-35(28(5)38(31)49)52-24-15-13-10-7-2)45-42(44-40)32-19-22-36(33(25-46)39(32)50)53-26-29(47)16-11-8-3/h17-22,29,46-50H,6-16,23-26H2,1-5H3/t29? |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:9][CH2:12][CH2:14][CH2:23][O:51][C:34]1=[C:27]([CH3:4])[C:37]([OH:48])=[C:30]([C:40]2=[N:43][C:41]([C:31]3=[C:38]([OH:49])[C:28]([CH3:5])=[C:35]([O:52][CH2:24][CH2:15][CH2:13][CH2:10][CH2:7][CH3:2])[CH:21]=[CH:18]3)=[N:45][C:42]([C:32]3=[C:39]([OH:50])[C:33]([CH2:25][OH:46])=[C:36]([O:53][CH2:26][CH:29]([CH2:16][CH2:11][CH2:8][CH3:3])[OH:47])[CH:22]=[CH:19]3)=[N:44]2)[CH:17]=[CH:20]1 |
|