| Properties | Image |
|---|
| MNX_ID | MNXM1196567 |
 |
| reference | envipathM:...bee4313429f4 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | UIGHBLDHECRGHN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-16-35(50)24(44)11-32(53-16)59-37-26(46)13-33(56-28(37)15-42)58-36-17(2)54-31(12-25(36)45)55-18-5-6-39(3)20-10-29(48)40(4)34(19-8-30(49)57-38(19)51)27(47)14-41(40,52)21(20)9-23(43)22(39)7-18/h8,16-18,20-23,25-29,31-38,42-43,45-48,50-52H,5-7,9-15H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C6=CC(=O)OC6O)C(O)CC45O)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-16-35(50)24(44)11-32(53-16)59-37-26(46)13-33(56-28(37)15-42)58-36-17(2)54-31(12-25(36)45)55-18-5-6-39(3)20-10-29(48)40(4)34(19-8-30(49)57-38(19)51)27(47)14-41(40,52)21(20)9-23(43)22(39)7-18/h8,16-18,20-23,25-29,31-38,42-43,45-48,50-52H,5-7,9-15H2,1-4H3/t16?,17?,18?,20?,21?,22?,23?,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:16]1[CH:35]([OH:50])[C:24](=[O:44])[CH2:11][CH:32]([O:59][CH:37]2[CH:26]([OH:46])[CH2:13][CH:33]([O:58][CH:36]3[CH:17]([CH3:2])[O:54][CH:31]([O:55][CH:18]4[CH2:5][CH2:6][C:39]5([CH3:3])[CH:20]6[CH2:10][CH:29]([OH:48])[C:40]7([CH3:4])[CH:34]([C:19]8=[CH:8][C:30](=[O:49])[O:57][CH:38]8[OH:51])[CH:27]([OH:47])[CH2:14][C:41]7([OH:52])[CH:21]6[CH2:9][CH:23]([OH:43])[CH:22]5[CH2:7]4)[CH2:12][CH:25]3[OH:45])[O:56][CH:28]2[CH2:15][OH:42])[O:53]1 |
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