| Properties | Image |
|---|
| MNX_ID | MNXM1172484 |
 |
| reference | envipathM:...526c4fb33f8d |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | IJYLKWWZCLPONI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-34(49)24(43)12-32(53-17)59-36-26(45)14-33(56-27(36)16-42)58-35-18(2)54-31(13-25(35)44)55-19-5-7-38(3)22-10-28(46)39(4)21(20-9-30(48)57-37(20)50)6-8-40(39,51)23(22)11-29(47)41(38,52)15-19/h9,17-19,21-29,31-37,42-47,49-52H,5-8,10-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8O)CCC7(O)C6CC(O)C5(O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-34(49)24(43)12-32(53-17)59-36-26(45)14-33(56-27(36)16-42)58-35-18(2)54-31(13-25(35)44)55-19-5-7-38(3)22-10-28(46)39(4)21(20-9-30(48)57-37(20)50)6-8-40(39,51)23(22)11-29(47)41(38,52)15-19/h9,17-19,21-29,31-37,42-47,49-52H,5-8,10-16H2,1-4H3/t17?,18?,19?,21?,22?,23?,24?,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:17]1[CH:34]([OH:49])[CH:24]([OH:43])[CH2:12][CH:32]([O:59][CH:36]2[CH:26]([OH:45])[CH2:14][CH:33]([O:58][CH:35]3[CH:18]([CH3:2])[O:54][CH:31]([O:55][CH:19]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:22]6[CH2:10][CH:28]([OH:46])[C:39]7([CH3:4])[CH:21]([C:20]8=[CH:9][C:30](=[O:48])[O:57][CH:37]8[OH:50])[CH2:6][CH2:8][C:40]7([OH:51])[CH:23]6[CH2:11][CH:29]([OH:47])[C:41]5([OH:52])[CH2:15]4)[CH2:13][CH:25]3[OH:44])[O:56][CH:27]2[CH2:16][OH:42])[O:53]1 |
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