| Properties | Image |
|---|
| MNX_ID | MNXM1190233 |
 |
| reference | envipathM:...332c73b82c04 |
| formula | C38H49N3O7 |
| global charge | 0 |
| mol weight | 659.824 |
| InChIKey | VYCWILIIDMMVLK-UHFFFAOYSA-N |
| InChI | InChI=1S/C38H49N3O7/c1-6-10-12-25(8-3)23-47-34-22-32(43)30(21-33(34)44)37-40-35(26-13-15-27(46-5)16-14-26)39-36(41-37)29-18-17-28(20-31(29)42)48-24-38(45,9-4)19-11-7-2/h13-18,20-22,25,42-45H,6-12,19,23-24H2,1-5H3 |
| SMILES | CCCCC(CC)COC1=CC(O)=C(C2=NC(C3=CC=C(OCC(O)(CC)CCCC)C=C3O)=NC(C3=CC=C(OC)C=C3)=N2)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C38H49N3O7/c1-6-10-12-25(8-3)23-47-34-22-32(43)30(21-33(34)44)37-40-35(26-13-15-27(46-5)16-14-26)39-36(41-37)29-18-17-28(20-31(29)42)48-24-38(45,9-4)19-11-7-2/h13-18,20-22,25,42-45H,6-12,19,23-24H2,1-5H3/t25?,38? |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:10][CH2:12][CH:25]([CH2:8][CH3:3])[CH2:23][O:47][C:34]1=[C:33]([OH:44])[CH:21]=[C:30]([C:37]2=[N:40][C:35]([C:26]3=[CH:14][CH:16]=[C:27]([O:46][CH3:5])[CH:15]=[CH:13]3)=[N:39][C:36]([C:29]3=[C:31]([OH:42])[CH:20]=[C:28]([O:48][CH2:24][C:38]([CH2:9][CH3:4])([CH2:19][CH2:11][CH2:7][CH3:2])[OH:45])[CH:17]=[CH:18]3)=[N:41]2)[C:32]([OH:43])=[CH:22]1 |
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