| Properties | Image |
|---|
| MNX_ID | MNXM1184856 |
 |
| reference | envipathM:...131087071575 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | FUBAYDRXDSIMFV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-35(57-32-15-26(45)36(19(2)53-32)58-33-13-24(43)34(48)27(17-42)55-33)25(44)14-31(52-18)54-21-7-9-38(3)20(11-21)5-6-22-23(38)12-29(46)39(4)28(8-10-41(22,39)51)40(50)16-30(47)56-37(40)49/h17-24,26-29,31-37,43,45-46,48-51H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5(O)CC(=O)OC5O)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(57-32-15-26(45)36(19(2)53-32)58-33-13-24(43)34(48)27(17-42)55-33)25(44)14-31(52-18)54-21-7-9-38(3)20(11-21)5-6-22-23(38)12-29(46)39(4)28(8-10-41(22,39)51)40(50)16-30(47)56-37(40)49/h17-24,26-29,31-37,43,45-46,48-51H,5-16H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:57][CH:32]2[CH2:15][CH:26]([OH:45])[CH:36]([O:58][CH:33]3[CH2:13][CH:24]([OH:43])[CH:34]([OH:48])[CH:27]([CH:17]=[O:42])[O:55]3)[CH:19]([CH3:2])[O:53]2)[C:25](=[O:44])[CH2:14][CH:31]([O:54][CH:21]2[CH2:7][CH2:9][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])[CH:28]([C:40]5([OH:50])[CH2:16][C:30](=[O:47])[O:56][CH:37]5[OH:49])[CH2:8][CH2:10][C:41]43[OH:51])[CH2:11]2)[O:52]1 |
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