| Properties | Image |
|---|
| MNX_ID | MNXM1195693 |
 |
| reference | envipathM:...9b7d8b4dd821 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | PLXPHWBGCKKKPG-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-19-35(48)27(43)14-33(52-19)58-37-21(3)54-34(16-31(47)56-37)57-36-20(2)53-32(15-28(36)44)55-23-7-10-38(5)26-13-30(46)39(6)25(29(45)18-51-22(4)42)9-12-41(39,50)24(26)8-11-40(38,49)17-23/h19-21,23-28,30,32-37,43-44,46,48-50H,7-18H2,1-6H3 |
| SMILES | CC(=O)OCC(=O)C1CCC2(O)C3CCC4(O)CC(OC5CC(O)C(OC6CC(=O)OC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-35(48)27(43)14-33(52-19)58-37-21(3)54-34(16-31(47)56-37)57-36-20(2)53-32(15-28(36)44)55-23-7-10-38(5)26-13-30(46)39(6)25(29(45)18-51-22(4)42)9-12-41(39,50)24(26)8-11-40(38,49)17-23/h19-21,23-28,30,32-37,43-44,46,48-50H,7-18H2,1-6H3/t19?,20?,21?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:48])[CH:27]([OH:43])[CH2:14][CH:33]([O:58][CH:37]2[CH:21]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:55][CH:23]4[CH2:7][CH2:10][C:38]5([CH3:5])[CH:26]6[CH2:13][CH:30]([OH:46])[C:39]7([CH3:6])[CH:25]([C:29]([CH2:18][O:51][C:22]([CH3:4])=[O:42])=[O:45])[CH2:9][CH2:12][C:41]7([OH:50])[CH:24]6[CH2:8][CH2:11][C:40]5([OH:49])[CH2:17]4)[CH2:15][CH:28]3[OH:44])[CH2:16][C:31](=[O:47])[O:56]2)[O:52]1 |
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