| Properties | Image |
|---|
| MNX_ID | MNXM1196954 |
 |
| reference | envipathM:...16840e9ae8f4 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | VOXAISCCABHPKL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-19-34(47)26(43)14-32(52-19)56-36-21(3)54-33(16-28(36)45)57-35-20(2)53-31(15-27(35)44)55-24-9-11-38(5)23(13-24)7-8-25(37(38)48)41(50)12-10-29(39(41,6)22(4)42)40(49)17-30(46)51-18-40/h8,19-21,23-24,26-29,31-36,43-45,47,49-50H,7,9-18H2,1-6H3 |
| SMILES | CC(=O)C1(C)C(C2(O)COC(=O)C2)CCC1(O)C1=CCC2CC(OC3CC(O)C(OC4CC(O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)C(C)O3)CCC2(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-34(47)26(43)14-32(52-19)56-36-21(3)54-33(16-28(36)45)57-35-20(2)53-31(15-27(35)44)55-24-9-11-38(5)23(13-24)7-8-25(37(38)48)41(50)12-10-29(39(41,6)22(4)42)40(49)17-30(46)51-18-40/h8,19-21,23-24,26-29,31-36,43-45,47,49-50H,7,9-18H2,1-6H3/t19?,20?,21?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:47])[CH:26]([OH:43])[CH2:14][CH:32]([O:56][CH:36]2[CH:21]([CH3:3])[O:54][CH:33]([O:57][CH:35]3[CH:20]([CH3:2])[O:53][CH:31]([O:55][CH:24]4[CH2:9][CH2:11][C:38]5([CH3:5])[CH:23]([CH2:7][CH:8]=[C:25]([C:41]6([OH:50])[CH2:12][CH2:10][CH:29]([C:40]7([OH:49])[CH2:17][C:30](=[O:46])[O:51][CH2:18]7)[C:39]6([CH3:6])[C:22]([CH3:4])=[O:42])[C:37]5=[O:48])[CH2:13]4)[CH2:15][CH:27]3[OH:44])[CH2:16][CH:28]2[OH:45])[O:52]1 |
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