| Properties | Image |
|---|
| MNX_ID | MNXM1197805 |
 |
| reference | envipathM:...3eb6ab950bc7 |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | NCRSLEKAPAJUGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-18-35(50)24(44)11-31(54-18)58-36-19(2)55-32(12-25(36)45)59-37-26(46)13-33(57-29(37)16-42)56-21-6-8-38(4)23-10-30(49)39(5)34(28(48)17-53-20(3)43)27(47)15-41(39,52)22(23)7-9-40(38,51)14-21/h18-19,21-27,29-37,42,44-47,49-52H,6-17H2,1-5H3 |
| SMILES | CC(=O)OCC(=O)C1C(O)CC2(O)C3CCC4(O)CC(OC5CC(O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(CO)O5)CCC4(C)C3CC(O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-35(50)24(44)11-31(54-18)58-36-19(2)55-32(12-25(36)45)59-37-26(46)13-33(57-29(37)16-42)56-21-6-8-38(4)23-10-30(49)39(5)34(28(48)17-53-20(3)43)27(47)15-41(39,52)22(23)7-9-40(38,51)14-21/h18-19,21-27,29-37,42,44-47,49-52H,6-17H2,1-5H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[CH:24]([OH:44])[CH2:11][CH:31]([O:58][CH:36]2[CH:19]([CH3:2])[O:55][CH:32]([O:59][CH:37]3[CH:26]([OH:46])[CH2:13][CH:33]([O:56][CH:21]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:23]6[CH2:10][CH:30]([OH:49])[C:39]7([CH3:5])[CH:34]([C:28]([CH2:17][O:53][C:20]([CH3:3])=[O:43])=[O:48])[CH:27]([OH:47])[CH2:15][C:41]7([OH:52])[CH:22]6[CH2:7][CH2:9][C:40]5([OH:51])[CH2:14]4)[O:57][CH:29]3[CH2:16][OH:42])[CH2:12][CH:25]2[OH:45])[O:54]1 |
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