| Properties | Image |
|---|
| MNX_ID | MNXM1170881 |
 |
| reference | envipathM:...25e6712c2bd1 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | KOFRQFNOCNHXHQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-18-36(57-33-16-28(45)37(19(2)54-33)58-34-14-26(43)35(49)29(17-42)56-34)27(44)15-32(53-18)55-21-7-9-39(3)20(11-21)5-6-24-25(39)13-30(46)40(4)23(8-10-41(24,40)52)22(38(50)51)12-31(47)48/h12,17-21,23-30,32-38,43-46,49-52H,5-11,13-16H2,1-4H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C(=CC(=O)[O-])C(O)O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-36(57-33-16-28(45)37(19(2)54-33)58-34-14-26(43)35(49)29(17-42)56-34)27(44)15-32(53-18)55-21-7-9-39(3)20(11-21)5-6-24-25(39)13-30(46)40(4)23(8-10-41(24,40)52)22(38(50)51)12-31(47)48/h12,17-21,23-30,32-38,43-46,49-52H,5-11,13-16H2,1-4H3,(H,47,48)/b22-12?/t18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:33]2[CH2:16][CH:28]([OH:45])[CH:37]([O:58][CH:34]3[CH2:14][CH:26]([OH:43])[CH:35]([OH:49])[CH:29]([CH:17]=[O:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:27]([OH:44])[CH2:15][CH:32]([O:55][CH:21]2[CH2:7][CH2:9][C:39]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:24]4[CH:25]3[CH2:13][CH:30]([OH:46])[C:40]3([CH3:4])[CH:23]([C:22](=[CH:12][C:31](=[O:47])[OH:48])[CH:38]([OH:50])[OH:51])[CH2:8][CH2:10][C:41]43[OH:52])[CH2:11]2)[O:53]1 |
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