| Properties | Image |
|---|
| MNX_ID | MNXM1061450 |
 |
| reference | slm:000754062 |
| formula | C66H118N2O24 |
| global charge | 0 |
| mol weight | 1323.66 |
| InChIKey | RRJWXEBWWZLYRQ-AOUQCTNTSA-N |
| InChI | InChI=1S/C66H118N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-49(75)68-43(51(76)44(74)35-33-31-29-27-25-17-15-13-11-9-7-5-2)41-85-64-57(82)55(80)60(47(39-71)88-64)90-65-58(83)56(81)61(48(40-72)89-65)91-66-59(84)62(53(78)46(38-70)87-66)92-63-50(67-42(3)73)54(79)52(77)45(37-69)86-63/h12,14,18-19,21-22,43-48,50-66,69-72,74,76-84H,4-11,13,15-17,20,23-41H2,1-3H3,(H,67,73)(H,68,75)/b14-12-,19-18-,22-21-/t43-,44+,45+,46+,47+,48+,50+,51-,52+,53-,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64+,65-,66+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H118N2O24/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-36-49(75)68-43(51(76)44(74)35-33-31-29-27-25-17-15-13-11-9-7-5-2)41-85-64-57(82)55(80)60(47(39-71)88-64)90-65-58(83)56(81)61(48(40-72)89-65)91-66-59(84)62(53(78)46(38-70)87-66)92-63-50(67-42(3)73)54(79)52(77)45(37-69)86-63/h12,14,18-19,21-22,43-48,50-66,69-72,74,76-84H,4-11,13,15-17,20,23-41H2,1-3H3,(H,67,73)(H,68,75)/b14-12-,19-18-,22-21-/t43-,44+,45+,46+,47+,48+,50+,51-,52+,53-,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64+,65-,66+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:49](=[N:68][C@@H:43]([CH2:41][O:85][C@H:64]1[C@H:57]([OH:82])[C@@H:55]([OH:80])[C@H:60]([O:90][C@H:65]2[C@H:58]([OH:83])[C@@H:56]([OH:81])[C@@H:61]([O:91][C@@H:66]3[C@H:59]([OH:84])[C@@H:62]([O:92][C@H:63]4[C@H:50]([N:67]=[C:42]([CH3:3])[OH:73])[C@@H:54]([OH:79])[C@H:52]([OH:77])[C@@H:45]([CH2:37][OH:69])[O:86]4)[C@@H:53]([OH:78])[C@@H:46]([CH2:38][OH:70])[O:87]3)[C@@H:48]([CH2:40][OH:72])[O:89]2)[C@@H:47]([CH2:39][OH:71])[O:88]1)[C@@H:51]([C@@H:44]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:74])[OH:76])[OH:75] |
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