| Properties | Image |
|---|
| MNX_ID | MNXM1188777 |
 |
| reference | envipathM:...9ed567773e4a |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | MRQYUUWJMNHQES-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-35(57-32-15-27(45)36(19(2)53-32)58-33-13-25(43)34(48)28(17-42)55-33)26(44)14-31(52-18)54-20-5-8-38(3)24-12-29(46)39(4)22(21-11-30(47)56-37(21)49)7-10-41(39,51)23(24)6-9-40(38,50)16-20/h18-24,26-29,31-37,42,44-46,48-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C6CC(=O)OC6O)CCC5(O)C4CCC3(O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-35(57-32-15-27(45)36(19(2)53-32)58-33-13-25(43)34(48)28(17-42)55-33)26(44)14-31(52-18)54-20-5-8-38(3)24-12-29(46)39(4)22(21-11-30(47)56-37(21)49)7-10-41(39,51)23(24)6-9-40(38,50)16-20/h18-24,26-29,31-37,42,44-46,48-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:57][CH:32]2[CH2:15][CH:27]([OH:45])[CH:36]([O:58][CH:33]3[CH2:13][C:25](=[O: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])[CH2:14][CH:31]([O:54][CH:20]2[CH2:5][CH2:8][C:38]3([CH3:3])[CH:24]4[CH2:12][CH:29]([OH:46])[C:39]5([CH3:4])[CH:22]([CH:21]6[CH2:11][C:30](=[O:47])[O:56][CH:37]6[OH:49])[CH2:7][CH2:10][C:41]5([OH:51])[CH:23]4[CH2:6][CH2:9][C:40]3([OH:50])[CH2:16]2)[O:52]1 |
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