| Properties | Image |
|---|
| MNX_ID | MNXM1185411 |
 |
| reference | envipathM:...e7a42ff245bf |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | DOPKGFBFXDMCPK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-35(49)26(43)13-33(53-17)57-38-19(3)55-34(15-28(38)45)58-37-18(2)54-32(14-27(37)44)56-23-10-21-9-22(42)11-25(40(21,4)30(47)12-23)36(50)39(51)41(5)24(6-7-29(41)46)20-8-31(48)52-16-20/h8,17-19,21,23-28,30,32-39,43-45,47,49-51H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CC(=O)CC5C(O)C(O)C5(C)C(=O)CCC5C5=CC(=O)OC5)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-35(49)26(43)13-33(53-17)57-38-19(3)55-34(15-28(38)45)58-37-18(2)54-32(14-27(37)44)56-23-10-21-9-22(42)11-25(40(21,4)30(47)12-23)36(50)39(51)41(5)24(6-7-29(41)46)20-8-31(48)52-16-20/h8,17-19,21,23-28,30,32-39,43-45,47,49-51H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[CH:26]([OH:43])[CH2:13][CH:33]([O:57][CH:38]2[CH:19]([CH3:3])[O:55][CH:34]([O:58][CH:37]3[CH:18]([CH3:2])[O:54][CH:32]([O:56][CH:23]4[CH2:10][CH:21]5[CH2:9][C:22](=[O:42])[CH2:11][CH:25]([CH:36]([CH:39]([C:41]6([CH3:5])[CH:24]([C:20]7=[CH:8][C:31](=[O:48])[O:52][CH2:16]7)[CH2:6][CH2:7][C:29]6=[O:46])[OH:51])[OH:50])[C:40]5([CH3:4])[CH:30]([OH:47])[CH2:12]4)[CH2:14][CH:27]3[OH:44])[CH2:15][CH:28]2[OH:45])[O:53]1 |
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