| Properties | Image |
|---|
| MNX_ID | MNXM522246 |
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| reference | slm:000485792 |
| formula | C46H85NO18 |
| global charge | 0 |
| mol weight | 940.175 |
| InChIKey | UPVHEDIXBNSUJI-RESAKMCTSA-N |
| InChI | InChI=1S/C46H85NO18/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-30(51)29(47-34(52)24-22-20-17-10-8-6-4-2)28-60-44-40(58)37(55)42(32(26-49)62-44)65-46-41(59)38(56)43(33(27-50)63-46)64-45-39(57)36(54)35(53)31(25-48)61-45/h21,23,29-33,35-46,48-51,53-59H,3-20,22,24-28H2,1-2H3,(H,47,52)/b23-21+/t29-,30+,31+,32+,33+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44+,45+,46-/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]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H85NO18/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-30(51)29(47-34(52)24-22-20-17-10-8-6-4-2)28-60-44-40(58)37(55)42(32(26-49)62-44)65-46-41(59)38(56)43(33(27-50)63-46)64-45-39(57)36(54)35(53)31(25-48)61-45/h21,23,29-33,35-46,48-51,53-59H,3-20,22,24-28H2,1-2H3,(H,47,52)/b23-21+/t29-,30+,31+,32+,33+,35-,36-,37+,38+,39+,40+,41+,42+,43-,44+,45+,46-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:19]/[CH:21]=[CH:23]/[C@H:30]([C@H:29]([CH2:28][O:60][C@H:44]1[C@H:40]([OH:58])[C@@H:37]([OH:55])[C@H:42]([O:65][C@H:46]2[C@H:41]([OH:59])[C@@H:38]([OH:56])[C@@H:43]([O:64][C@@H:45]3[C@H:39]([OH:57])[C@@H:36]([OH:54])[C@@H:35]([OH:53])[C@@H:31]([CH2:25][OH:48])[O:61]3)[C@@H:33]([CH2:27][OH:50])[O:63]2)[C@@H:32]([CH2:26][OH:49])[O:62]1)[N:47]=[C:34]([CH2:24][CH2:22][CH2:20][CH2:17][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])[OH:51] |
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