| Properties | Image |
|---|
| MNX_ID | MNXM1182913 |
 |
| reference | envipathM:...f307a6a094fd |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | QDBHFYAZGCGAJJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-35(57-32-16-27(45)36(19(2)53-32)58-33-14-25(43)34(48)28(17-42)55-33)26(44)15-31(52-18)54-21-7-8-38(3)20(11-21)5-6-22-23(38)12-29(46)39(4)40(22,50)9-10-41(39,51)24-13-30(47)56-37(24)49/h13,18-23,25-26,28-29,31-36,42-44,46,48,50-51H,5-12,14-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(O)(C6=CC(=O)OC6=O)CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-35(57-32-16-27(45)36(19(2)53-32)58-33-14-25(43)34(48)28(17-42)55-33)26(44)15-31(52-18)54-21-7-8-38(3)20(11-21)5-6-22-23(38)12-29(46)39(4)40(22,50)9-10-41(39,51)24-13-30(47)56-37(24)49/h13,18-23,25-26,28-29,31-36,42-44,46,48,50-51H,5-12,14-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,25?,26?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:57][CH:32]2[CH2:16][C:27](=[O:45])[CH:36]([O:58][CH:33]3[CH2:14][CH:25]([OH:43])[CH:34]([OH:48])[CH:28]([CH2:17][OH:42])[O:55]3)[CH:19]([CH3:2])[O:53]2)[CH:26]([OH:44])[CH2:15][CH:31]([O:54][CH:21]2[CH2:7][CH2:8][C:38]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:22]4[CH:23]3[CH2:12][CH:29]([OH:46])[C:39]3([CH3:4])[C:40]4([OH:50])[CH2:9][CH2:10][C:41]3([C:24]3=[CH:13][C:30](=[O:47])[O:56][C:37]3=[O:49])[OH:51])[CH2:11]2)[O:52]1 |
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