| Properties | Image |
|---|
| MNX_ID | MNXM1179252 |
 |
| reference | envipathM:...900e41ee3b89 |
| formula | C41H67O18 |
| global charge | -1 |
| mol weight | 847.969 |
| InChIKey | MKTGSMJXUYZOKD-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H68O18/c1-17-33(47)24(43)13-29(54-17)58-35-18(2)55-30(14-25(35)44)59-36-26(45)15-31(57-27(36)16-42)56-20-7-9-39(3)19(11-20)5-6-21-23(39)12-28(46)40(4)22(8-10-41(21,40)53)32(37(49)50)34(48)38(51)52/h17-37,42-50,53H,5-16H2,1-4H3,(H,51,52)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(C(O)O)C(O)C(=O)[O-])CCC65O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H68O18/c1-17-33(47)24(43)13-29(54-17)58-35-18(2)55-30(14-25(35)44)59-36-26(45)15-31(57-27(36)16-42)56-20-7-9-39(3)19(11-20)5-6-21-23(39)12-28(46)40(4)22(8-10-41(21,40)53)32(37(49)50)34(48)38(51)52/h17-37,42-50,53H,5-16H2,1-4H3,(H,51,52)/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:33]([OH:47])[CH:24]([OH:43])[CH2:13][CH:29]([O:58][CH:35]2[CH:18]([CH3:2])[O:55][CH:30]([O:59][CH:36]3[CH:26]([OH:45])[CH2:15][CH:31]([O:56][CH:20]4[CH2:7][CH2:9][C:39]5([CH3:3])[CH:19]([CH2:5][CH2:6][CH:21]6[CH:23]5[CH2:12][CH:28]([OH:46])[C:40]5([CH3:4])[CH:22]([CH:32]([CH:34]([C:38](=[O:51])[OH:52])[OH:48])[CH:37]([OH:49])[OH:50])[CH2:8][CH2:10][C:41]65[OH:53])[CH2:11]4)[O:57][CH:27]3[CH2:16][OH:42])[CH2:14][CH:25]2[OH:44])[O:54]1 |
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