| Properties | Image |
|---|
| MNX_ID | MNXM1183141 |
 |
| reference | envipathM:...e6fcb33f40c6 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | SHFHXJXJSXFOKL-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-18-37(57-33-15-28(47)38(19(2)54-33)58-34-13-26(45)36(51)29(17-43)56-34)27(46)14-32(53-18)55-22-5-7-39(3)21(10-22)11-25(44)35-24(39)12-30(48)40(4)23(6-8-41(35,40)52)20(16-42)9-31(49)50/h9,16,18-19,21-30,32-38,43-48,51-52H,5-8,10-15,17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2C3CC(O)C3(C)C(C(C=O)=CC(=O)[O-])CCC23O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-37(57-33-15-28(47)38(19(2)54-33)58-34-13-26(45)36(51)29(17-43)56-34)27(46)14-32(53-18)55-22-5-7-39(3)21(10-22)11-25(44)35-24(39)12-30(48)40(4)23(6-8-41(35,40)52)20(16-42)9-31(49)50/h9,16,18-19,21-30,32-38,43-48,51-52H,5-8,10-15,17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:57][CH:33]2[CH2:15][CH:28]([OH:47])[CH:38]([O:58][CH:34]3[CH2:13][CH:26]([OH:45])[CH:36]([OH:51])[CH:29]([CH2:17][OH:43])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:27]([OH:46])[CH2:14][CH:32]([O:55][CH:22]2[CH2:5][CH2:7][C:39]3([CH3:3])[CH:21]([CH2:10]2)[CH2:11][CH:25]([OH:44])[CH:35]2[CH:24]3[CH2:12][CH:30]([OH:48])[C:40]3([CH3:4])[CH:23]([C:20](=[CH:9][C:31](=[O:49])[OH:50])[CH:16]=[O:42])[CH2:6][CH2:8][C:41]23[OH:52])[O:53]1 |
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