| Properties | Image |
|---|
| MNX_ID | MNXM1191402 |
 |
| reference | envipathM:...bbbebc357071 |
| formula | C41H66O17 |
| global charge | 0 |
| mol weight | 830.962 |
| InChIKey | QWVBYXTZPIUIQR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O17/c1-18-35(49)26(43)14-33(53-18)57-37-20(3)55-34(16-28(37)45)58-36-19(2)54-32(15-27(36)44)56-23-11-22-7-8-24-25(38(22,5)29(46)12-23)13-30(47)39(6)40(24,50)9-10-41(39,51)31(48)17-52-21(4)42/h18-20,22-30,32-37,43-47,49-51H,7-17H2,1-6H3 |
| SMILES | CC(=O)OCC(=O)C1(O)CCC2(O)C3CCC4CC(OC5CC(O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CC(O)C4(C)C3CC(O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-18-35(49)26(43)14-33(53-18)57-37-20(3)55-34(16-28(37)45)58-36-19(2)54-32(15-27(36)44)56-23-11-22-7-8-24-25(38(22,5)29(46)12-23)13-30(47)39(6)40(24,50)9-10-41(39,51)31(48)17-52-21(4)42/h18-20,22-30,32-37,43-47,49-51H,7-17H2,1-6H3/t18?,19?,20?,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:35]([OH:49])[CH:26]([OH:43])[CH2:14][CH:33]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:23]4[CH2:11][CH:22]5[CH2:7][CH2:8][CH:24]6[CH:25]([CH2:13][CH:30]([OH:47])[C:39]7([CH3:6])[C:40]6([OH:50])[CH2:9][CH2:10][C:41]7([C:31]([CH2:17][O:52][C:21]([CH3:4])=[O:42])=[O:48])[OH:51])[C:38]5([CH3:5])[CH:29]([OH:46])[CH2:12]4)[CH2:15][CH:27]3[OH:44])[CH2:16][CH:28]2[OH:45])[O:53]1 |
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