| Properties | Image |
|---|
| MNX_ID | MNXM1059888 |
 |
| reference | slm:000752476 |
| formula | C65H119NO28 |
| global charge | 0 |
| mol weight | 1362.646 |
| InChIKey | ZKTWDANXZFYOJI-WCSITSBTSA-N |
| InChI | InChI=1S/C65H119NO28/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-39(72)38(66-45(73)30-27-24-21-18-15-12-13-16-19-22-25-28-37(2)3)36-85-61-53(81)50(78)57(43(34-70)89-61)91-63-54(82)51(79)58(44(35-71)90-63)92-64-55(83)60(48(76)41(32-68)87-64)94-65-56(84)59(47(75)42(33-69)88-65)93-62-52(80)49(77)46(74)40(31-67)86-62/h26,29,37-44,46-65,67-72,74-84H,4-25,27-28,30-36H2,1-3H3,(H,66,73)/b29-26+/t38-,39+,40+,41+,42+,43+,44+,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61+,62+,63-,64+,65+/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C65H119NO28/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-39(72)38(66-45(73)30-27-24-21-18-15-12-13-16-19-22-25-28-37(2)3)36-85-61-53(81)50(78)57(43(34-70)89-61)91-63-54(82)51(79)58(44(35-71)90-63)92-64-55(83)60(48(76)41(32-68)87-64)94-65-56(84)59(47(75)42(33-69)88-65)93-62-52(80)49(77)46(74)40(31-67)86-62/h26,29,37-44,46-65,67-72,74-84H,4-25,27-28,30-36H2,1-3H3,(H,66,73)/b29-26+/t38-,39+,40+,41+,42+,43+,44+,46-,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61+,62+,63-,64+,65+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:14][CH2:17][CH2:20][CH2:23]/[CH:26]=[CH:29]/[C@H:39]([C@H:38]([CH2:36][O:85][C@H:61]1[C@H:53]([OH:81])[C@@H:50]([OH:78])[C@H:57]([O:91][C@H:63]2[C@H:54]([OH:82])[C@@H:51]([OH:79])[C@@H:58]([O:92][C@@H:64]3[C@H:55]([OH:83])[C@@H:60]([O:94][C@@H:65]4[C@H:56]([OH:84])[C@@H:59]([O:93][C@@H:62]5[C@H:52]([OH:80])[C@@H:49]([OH:77])[C@@H:46]([OH:74])[C@@H:40]([CH2:31][OH:67])[O:86]5)[C@@H:47]([OH:75])[C@@H:42]([CH2:33][OH:69])[O:88]4)[C@@H:48]([OH:76])[C@@H:41]([CH2:32][OH:68])[O:87]3)[C@@H:44]([CH2:35][OH:71])[O:90]2)[C@@H:43]([CH2:34][OH:70])[O:89]1)[N:66]=[C:45]([CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH:37]([CH3:2])[CH3:3])[OH:73])[OH:72] |
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