| Properties | Image |
|---|
| MNX_ID | MNXM1187271 |
 |
| reference | envipathM:...4959f6f9f44e |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | NJRXOYMZISSGRA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-17-36(58-33-13-27(46)37(18(2)55-33)59-34-11-25(44)35(50)28(15-42)57-34)26(45)12-32(54-17)56-20-5-6-38(3)21-10-29(47)39(4)40(51,22(21)9-24(43)23(38)8-20)14-30(48)41(39,52)19-7-31(49)53-16-19/h17-30,32-37,42-48,50-52H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C2(O)CC(O)C3(O)C2COC(=O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-17-36(58-33-13-27(46)37(18(2)55-33)59-34-11-25(44)35(50)28(15-42)57-34)26(45)12-32(54-17)56-20-5-6-38(3)21-10-29(47)39(4)40(51,22(21)9-24(43)23(38)8-20)14-30(48)41(39,52)19-7-31(49)53-16-19/h17-30,32-37,42-48,50-52H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([O:58][CH:33]2[CH2:13][CH:27]([OH:46])[CH:37]([O:59][CH:34]3[CH2:11][CH:25]([OH:44])[CH:35]([OH:50])[CH:28]([CH2:15][OH:42])[O:57]3)[CH:18]([CH3:2])[O:55]2)[CH:26]([OH:45])[CH2:12][CH:32]([O:56][CH:20]2[CH2:5][CH2:6][C:38]3([CH3:3])[CH:21]4[CH2:10][CH:29]([OH:47])[C:39]5([CH3:4])[C:40]([OH:51])([CH2:14][CH:30]([OH:48])[C:41]5([CH:19]5[CH2:7][C:31](=[O:49])[O:53][CH2:16]5)[OH:52])[CH:22]4[CH2:9][CH:24]([OH:43])[CH:23]3[CH2:8]2)[O:54]1 |
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