| Properties | Image |
|---|
| MNX_ID | MNXM1195947 |
 |
| reference | envipathM:...5f927641c533 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | NKHAXINRWNWUJT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-35(49)26(44)13-32(53-18)57-36-19(2)54-33(14-27(36)45)58-37-28(46)15-34(56-29(37)16-42)55-21-5-6-38(3)22-12-30(47)39(4)40(50,20-9-31(48)52-17-20)7-8-41(39,51)23(22)11-25(43)24(38)10-21/h9,18-19,21-25,27-30,32-37,42-43,45-47,49-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(O)(C6=CC(=O)OC6)CCC45O)OC3CO)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(49)26(44)13-32(53-18)57-36-19(2)54-33(14-27(36)45)58-37-28(46)15-34(56-29(37)16-42)55-21-5-6-38(3)22-12-30(47)39(4)40(50,20-9-31(48)52-17-20)7-8-41(39,51)23(22)11-25(43)24(38)10-21/h9,18-19,21-25,27-30,32-37,42-43,45-47,49-51H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[C:26](=[O:44])[CH2:13][CH:32]([O:57][CH:36]2[CH:19]([CH3:2])[O:54][CH:33]([O:58][CH:37]3[CH:28]([OH:46])[CH2:15][CH:34]([O:55][CH:21]4[CH2:5][CH2:6][C:38]5([CH3:3])[CH:22]6[CH2:12][CH:30]([OH:47])[C:39]7([CH3:4])[C:40]([C:20]8=[CH:9][C:31](=[O:48])[O:52][CH2:17]8)([OH:50])[CH2:7][CH2:8][C:41]7([OH:51])[CH:23]6[CH2:11][CH:25]([OH:43])[CH:24]5[CH2:10]4)[O:56][CH:29]3[CH2:16][OH:42])[CH2:14][CH:27]2[OH:45])[O:53]1 |
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