| Properties | Image |
|---|
| MNX_ID | MNXM1138154 |
 |
| reference | envipathM:...355148b413b0 |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | RXPQDJCWYVUCGN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-18-35(58-32-13-25(45)36(19(2)55-32)59-33-11-23(43)34(49)26(16-42)57-33)24(44)12-31(54-18)56-22-7-8-37(3)20(9-22)5-6-27-39(37,50)14-28(46)38(4)40(27,51)15-29(47)41(38,52)21-10-30(48)53-17-21/h18-29,31-36,42-47,49-52H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3(O)CC(O)C3(C)C4(O)CC(O)C3(O)C3COC(=O)C3)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-35(58-32-13-25(45)36(19(2)55-32)59-33-11-23(43)34(49)26(16-42)57-33)24(44)12-31(54-18)56-22-7-8-37(3)20(9-22)5-6-27-39(37,50)14-28(46)38(4)40(27,51)15-29(47)41(38,52)21-10-30(48)53-17-21/h18-29,31-36,42-47,49-52H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:32]2[CH2:13][CH:25]([OH:45])[CH:36]([O:59][CH:33]3[CH2:11][CH:23]([OH:43])[CH:34]([OH:49])[CH:26]([CH2:16][OH:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:24]([OH:44])[CH2:12][CH:31]([O:56][CH:22]2[CH2:7][CH2:8][C:37]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:27]4[C:39]3([OH:50])[CH2:14][CH:28]([OH:46])[C:38]3([CH3:4])[C:40]4([OH:51])[CH2:15][CH:29]([OH:47])[C:41]3([CH:21]3[CH2:10][C:30](=[O:48])[O:53][CH2:17]3)[OH:52])[CH2:9]2)[O:54]1 |
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