| Properties | Image |
|---|
| MNX_ID | MNXM1059567 |
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| reference | slm:000752147 |
| formula | C44H79NO23 |
| global charge | 0 |
| mol weight | 990.1 |
| InChIKey | ZWXOITHVRNUPKD-WIBIFZIRSA-N |
| InChI | InChI=1S/C44H79NO23/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(51)23(45-22(2)50)21-61-41-35(58)32(55)38(27(19-48)64-41)66-43-36(59)33(56)39(28(20-49)65-43)67-44-37(60)40(30(53)26(18-47)63-44)68-42-34(57)31(54)29(52)25(17-46)62-42/h15-16,23-44,46-49,51-60H,3-14,17-21H2,1-2H3,(H,45,50)/b16-15+/t23-,24+,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41+,42+,43-,44+/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]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C44H79NO23/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(51)23(45-22(2)50)21-61-41-35(58)32(55)38(27(19-48)64-41)66-43-36(59)33(56)39(28(20-49)65-43)67-44-37(60)40(30(53)26(18-47)63-44)68-42-34(57)31(54)29(52)25(17-46)62-42/h15-16,23-44,46-49,51-60H,3-14,17-21H2,1-2H3,(H,45,50)/b16-15+/t23-,24+,25+,26+,27+,28+,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,40-,41+,42+,43-,44+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]/[C@H:24]([C@H:23]([CH2:21][O:61][C@H:41]1[C@H:35]([OH:58])[C@@H:32]([OH:55])[C@H:38]([O:66][C@H:43]2[C@H:36]([OH:59])[C@@H:33]([OH:56])[C@@H:39]([O:67][C@@H:44]3[C@H:37]([OH:60])[C@@H:40]([O:68][C@@H:42]4[C@H:34]([OH:57])[C@@H:31]([OH:54])[C@@H:29]([OH:52])[C@@H:25]([CH2:17][OH:46])[O:62]4)[C@@H:30]([OH:53])[C@@H:26]([CH2:18][OH:47])[O:63]3)[C@@H:28]([CH2:20][OH:49])[O:65]2)[C@@H:27]([CH2:19][OH:48])[O:64]1)[N:45]=[C:22]([CH3:2])[OH:50])[OH:51] |
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