| Properties | Image |
|---|
| MNX_ID | MNXM1180748 |
 |
| reference | envipathM:...1cd284c2b0d7 |
| formula | C41H66O17 |
| global charge | 0 |
| mol weight | 830.962 |
| InChIKey | LUSVLSVMMPYWOB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O17/c1-17-36(50)27(44)13-34(53-17)57-38-19(3)55-35(15-29(38)46)58-37-18(2)54-33(14-28(37)45)56-21-9-25-26(43)11-24-23(39(25,5)31(48)10-21)12-32(49)40(6)22(7-8-41(24,40)51)30(47)16-52-20(4)42/h17-19,21-29,31-38,43-46,48-51H,7-16H2,1-6H3 |
| SMILES | CC(=O)OCC(=O)C1CCC2(O)C3CC(O)C4CC(OC5CC(O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CC(O)C4(C)C3CC(O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-17-36(50)27(44)13-34(53-17)57-38-19(3)55-35(15-29(38)46)58-37-18(2)54-33(14-28(37)45)56-21-9-25-26(43)11-24-23(39(25,5)31(48)10-21)12-32(49)40(6)22(7-8-41(24,40)51)30(47)16-52-20(4)42/h17-19,21-29,31-38,43-46,48-51H,7-16H2,1-6H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:50])[CH:27]([OH:44])[CH2:13][CH:34]([O:57][CH:38]2[CH:19]([CH3:3])[O:55][CH:35]([O:58][CH:37]3[CH:18]([CH3:2])[O:54][CH:33]([O:56][CH:21]4[CH2:9][CH:25]5[CH:26]([OH:43])[CH2:11][CH:24]6[CH:23]([CH2:12][CH:32]([OH:49])[C:40]7([CH3:6])[CH:22]([C:30]([CH2:16][O:52][C:20]([CH3:4])=[O:42])=[O:47])[CH2:7][CH2:8][C:41]67[OH:51])[C:39]5([CH3:5])[CH:31]([OH:48])[CH2:10]4)[CH2:14][CH:28]3[OH:45])[CH2:15][CH:29]2[OH:46])[O:53]1 |
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