| Properties | Image |
|---|
| MNX_ID | MNXM1177183 |
 |
| reference | envipathM:...e27dae8783b1 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | MWYSVQBNWATCEP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-35(49)26(44)14-32(53-18)57-37-20(3)55-33(16-28(37)46)58-36-19(2)54-31(15-27(36)45)56-23-7-8-38(5)22(11-23)12-25(43)34-24(38)13-29(47)39(6)40(50,9-10-41(34,39)51)30(48)17-52-21(4)42/h18-20,22-24,26-29,31-37,44-47,49-51H,7-17H2,1-6H3 |
| SMILES | CC(=O)OCC(=O)C1(O)CCC2(O)C3C(=O)CC4CC(OC5CC(O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-35(49)26(44)14-32(53-18)57-37-20(3)55-33(16-28(37)46)58-36-19(2)54-31(15-27(36)45)56-23-7-8-38(5)22(11-23)12-25(43)34-24(38)13-29(47)39(6)40(50,9-10-41(34,39)51)30(48)17-52-21(4)42/h18-20,22-24,26-29,31-37,44-47,49-51H,7-17H2,1-6H3/t18?,19?,20?,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]([OH:49])[CH:26]([OH:44])[CH2:14][CH:32]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:7][CH2:8][C:38]5([CH3:5])[CH:22]([CH2:11]4)[CH2:12][C:25](=[O:43])[CH:34]4[CH:24]5[CH2:13][CH:29]([OH:47])[C:39]5([CH3:6])[C:40]([C:30]([CH2:17][O:52][C:21]([CH3:4])=[O:42])=[O:48])([OH:50])[CH2:9][CH2:10][C:41]45[OH:51])[CH2:15][CH:27]3[OH:45])[CH2:16][CH:28]2[OH:46])[O:53]1 |
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