| Properties | Image |
|---|
| MNX_ID | MNXM1170582 |
 |
| reference | envipathM:...4c8c865a13e5 |
| formula | C38H49N3O6 |
| global charge | 0 |
| mol weight | 643.825 |
| InChIKey | CTBOHWFPTRYPAH-UHFFFAOYSA-N |
| InChI | InChI=1S/C38H49N3O6/c1-6-10-12-25(8-3)23-46-29-18-19-30(32(42)22-29)37-39-36(27-14-16-28(45-5)17-15-27)40-38(41-37)31-20-21-33(35(44)34(31)43)47-24-26(9-4)13-11-7-2/h14-22,25-26,42-44H,6-13,23-24H2,1-5H3 |
| SMILES | CCCCC(CC)COC1=CC=C(C2=NC(C3=CC=C(OC)C=C3)=NC(C3=CC=C(OCC(CC)CCCC)C(O)=C3O)=N2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C38H49N3O6/c1-6-10-12-25(8-3)23-46-29-18-19-30(32(42)22-29)37-39-36(27-14-16-28(45-5)17-15-27)40-38(41-37)31-20-21-33(35(44)34(31)43)47-24-26(9-4)13-11-7-2/h14-22,25-26,42-44H,6-13,23-24H2,1-5H3/t25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:10][CH2:12][CH:25]([CH2:8][CH3:3])[CH2:23][O:46][C:29]1=[CH:22][C:32]([OH:42])=[C:30]([C:37]2=[N:41][C:38]([C:31]3=[C:34]([OH:43])[C:35]([OH:44])=[C:33]([O:47][CH2:24][CH:26]([CH2:9][CH3:4])[CH2:13][CH2:11][CH2:7][CH3:2])[CH:21]=[CH:20]3)=[N:40][C:36]([C:27]3=[CH:15][CH:17]=[C:28]([O:45][CH3:5])[CH:16]=[CH:14]3)=[N:39]2)[CH:19]=[CH:18]1 |
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