| Properties | Image |
|---|
| MNX_ID | MNXM1173582 |
 |
| reference | envipathM:...6cf08c5c390b |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | OAJOLPABGQRNSN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-37(56-34-15-28(45)38(19(2)53-34)57-35-13-26(43)36(49)29(16-42)55-35)27(44)14-33(52-18)54-22-10-21-5-6-24-25(39(21,3)30(46)11-22)12-31(47)40(4)23(7-8-41(24,40)50)20-9-32(48)51-17-20/h9,18-19,21-29,33-38,42-45,49-50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2CC(=O)C3(C)C(CCC4C3CC(=O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-37(56-34-15-28(45)38(19(2)53-34)57-35-13-26(43)36(49)29(16-42)55-35)27(44)14-33(52-18)54-22-10-21-5-6-24-25(39(21,3)30(46)11-22)12-31(47)40(4)23(7-8-41(24,40)50)20-9-32(48)51-17-20/h9,18-19,21-29,33-38,42-45,49-50H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:56][CH:34]2[CH2:15][CH:28]([OH:45])[CH:38]([O:57][CH:35]3[CH2:13][CH:26]([OH:43])[CH:36]([OH:49])[CH:29]([CH2:16][OH:42])[O:55]3)[CH:19]([CH3:2])[O:53]2)[CH:27]([OH:44])[CH2:14][CH:33]([O:54][CH:22]2[CH2:10][CH:21]3[CH2:5][CH2:6][CH:24]4[CH:25]([CH2:12][C:31](=[O:47])[C:40]5([CH3:4])[CH:23]([C:20]6=[CH:9][C:32](=[O:48])[O:51][CH2:17]6)[CH2:7][CH2:8][C:41]45[OH:50])[C:39]3([CH3:3])[C:30](=[O:46])[CH2:11]2)[O:52]1 |
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