| Properties | Image |
|---|
| MNX_ID | MNXM1174401 |
 |
| reference | envipathM:...91acb7c1ef0a |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | KMMXPDCUZNHSEY-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-32(47)24(42)14-30(53-18)58-34-20(3)55-31(16-26(34)44)59-33-19(2)54-29(15-25(33)43)56-22-7-8-36(4)21(12-22)6-9-40(51)39(50)11-10-38(49,23-13-28(46)57-35(23)48)37(39,5)27(45)17-41(36,40)52/h13,18-22,24-26,29-35,42-44,47-52H,6-12,14-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5(O)CC(=O)C5(C)C(O)(C7=CC(=O)OC7O)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-32(47)24(42)14-30(53-18)58-34-20(3)55-31(16-26(34)44)59-33-19(2)54-29(15-25(33)43)56-22-7-8-36(4)21(12-22)6-9-40(51)39(50)11-10-38(49,23-13-28(46)57-35(23)48)37(39,5)27(45)17-41(36,40)52/h13,18-22,24-26,29-35,42-44,47-52H,6-12,14-17H2,1-5H3/t18?,19?,20?,21?,22?,24?,25?,26?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:32]([OH:47])[CH:24]([OH:42])[CH2:14][CH:30]([O:58][CH:34]2[CH:20]([CH3:3])[O:55][CH:31]([O:59][CH:33]3[CH:19]([CH3:2])[O:54][CH:29]([O:56][CH:22]4[CH2:7][CH2:8][C:36]5([CH3:4])[CH:21]([CH2:6][CH2:9][C:40]6([OH:51])[C:39]7([OH:50])[CH2:11][CH2:10][C:38]([C:23]8=[CH:13][C:28](=[O:46])[O:57][CH:35]8[OH:48])([OH:49])[C:37]7([CH3:5])[C:27](=[O:45])[CH2:17][C:41]56[OH:52])[CH2:12]4)[CH2:15][CH:25]3[OH:43])[CH2:16][CH:26]2[OH:44])[O:53]1 |
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