| Properties | Image |
|---|
| MNX_ID | MNXM1187989 |
 |
| reference | envipathM:...b71d3a7cb0c8 |
| formula | C41H74N2O16 |
| global charge | 0 |
| mol weight | 851.041 |
| InChIKey | PNIXKZZXKKQCFN-FEMONOMJSA-N |
| InChI | InChI=1S/C41H74N2O16/c1-22-19-39(7,49)36(59-38-32(45)28(43(10)11)18-23(2)55-38)25(4)33(58-30-20-40(8,52-13)35(47)27(6)56-30)26(5)37(48)57-29(14-15-44)41(9,50)34(46)24(3)31(22)42-54-21-53-17-16-51-12/h15,22-30,32-36,38,45-47,49-50H,14,16-21H2,1-13H3/b42-31+ |
| SMILES | COCCOCO/N=C1\C(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(=O)OC(CC=O)C(C)(O)C(O)C1C |
MNX internals
| InChI (mnx) | InChI=1/C41H74N2O16/c1-22-19-39(7,49)36(59-38-32(45)28(43(10)11)18-23(2)55-38)25(4)33(58-30-20-40(8,52-13)35(47)27(6)56-30)26(5)37(48)57-29(14-15-44)41(9,50)34(46)24(3)31(22)42-54-21-53-17-16-51-12/h15,22-30,32-36,38,45-47,49-50H,14,16-21H2,1-13H3/b42-31+/t22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:22]1[CH2:19][C:39]([CH3:7])([OH:49])[CH:36]([O:59][CH:38]2[CH:32]([OH:45])[CH:28]([N:43]([CH3:10])[CH3:11])[CH2:18][CH:23]([CH3:2])[O:55]2)[CH:25]([CH3:4])[CH:33]([O:58][CH:30]2[CH2:20][C:40]([CH3:8])([O:52][CH3:13])[CH:35]([OH:47])[CH:27]([CH3:6])[O:56]2)[CH:26]([CH3:5])[C:37](=[O:48])[O:57][CH:29]([CH2:14][CH:15]=[O:44])[C:41]([CH3:9])([OH:50])[CH:34]([OH:46])[CH:24]([CH3:3])/[C:31]1=[N:42]/[O:54][CH2:21][O:53][CH2:17][CH2:16][O:51][CH3:12] |
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