| Properties | Image |
|---|
| MNX_ID | MNXM161634 |
 |
| reference | keggD:D10492 |
| formula | C41H71N3O8 |
| global charge | 0 |
| mol weight | 734.032 |
| InChIKey | HNDXPZPJZGTJLJ-UEJFNEDBSA-N |
| InChI | InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/m1/s1 |
| SMILES | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1 |
MNX internals
| InChI (mnx) | InChI=1/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C@@H:35]1[C@@H:32]([CH2:26][N:44]2[CH2:20][CH2:13][CH2:10][CH2:14][CH2:21]2)/[CH:23]=[C:27]([CH3:2])/[CH:15]=[CH:16]/[C:33](=[O:45])[C@H:28]([CH3:3])[CH2:24][C@H:31]([CH2:17][CH2:22][N:43]2[CH2:18][CH2:11][CH2:9][CH2:12][CH2:19]2)[C@H:40]([O:52][C@H:41]2[C@H:39]([OH:49])[C@@H:37]([N:42]([CH3:6])[CH3:7])[C@H:38]([OH:48])[C@@H:30]([CH3:5])[O:50]2)[C@@H:29]([CH3:4])[C@H:34]([OH:46])[CH2:25][C:36](=[O:47])[O:51]1 |
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