| Properties | Image |
|---|
| MNX_ID | MNXM1186171 |
 |
| reference | envipathM:...bbf70192abf1 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | WREGCCOOHPDASL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-34(49)23(43)11-31(54-18)58-35-19(2)55-32(12-24(35)44)59-36-25(45)13-33(57-26(36)16-42)56-22-6-7-37(3)20(9-22)5-8-39(50)27(37)14-28(46)38(4)40(39,51)15-29(47)41(38,52)21-10-30(48)53-17-21/h10,18-20,22-28,31-36,42-46,49-52H,5-9,11-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(O)(C7=CC(=O)OC7)C(=O)CC65O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-34(49)23(43)11-31(54-18)58-35-19(2)55-32(12-24(35)44)59-36-25(45)13-33(57-26(36)16-42)56-22-6-7-37(3)20(9-22)5-8-39(50)27(37)14-28(46)38(4)40(39,51)15-29(47)41(38,52)21-10-30(48)53-17-21/h10,18-20,22-28,31-36,42-46,49-52H,5-9,11-17H2,1-4H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:49])[CH:23]([OH:43])[CH2:11][CH:31]([O:58][CH:35]2[CH:19]([CH3:2])[O:55][CH:32]([O:59][CH:36]3[CH:25]([OH:45])[CH2:13][CH:33]([O:56][CH:22]4[CH2:6][CH2:7][C:37]5([CH3:3])[CH:20]([CH2:5][CH2:8][C:39]6([OH:50])[CH:27]5[CH2:14][CH:28]([OH:46])[C:38]5([CH3:4])[C:40]6([OH:51])[CH2:15][C:29](=[O:47])[C:41]5([C:21]5=[CH:10][C:30](=[O:48])[O:53][CH2:17]5)[OH:52])[CH2:9]4)[O:57][CH:26]3[CH2:16][OH:42])[CH2:12][CH:24]2[OH:44])[O:54]1 |
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