| Properties | Image |
|---|
| MNX_ID | MNXM1188358 |
 |
| reference | envipathM:...499d2a8b94be |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | ZYAZTMQJAKNQKM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-34(47)27(43)15-32(52-19)56-36-21(3)54-33(17-29(36)45)57-35-20(2)53-31(16-28(35)44)55-25-9-10-38(5)23(13-25)7-8-26(37(38)48)41(50)12-11-40(49,39(41,6)22(4)42)24-14-30(46)51-18-24/h14,19-21,23,25-28,31-36,43-44,47,49-50H,7-13,15-18H2,1-6H3 |
| SMILES | CC(=O)C1(C)C(O)(C2=CC(=O)OC2)CCC1(O)C1CCC2CC(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/C41H60O16/c1-19-34(47)27(43)15-32(52-19)56-36-21(3)54-33(17-29(36)45)57-35-20(2)53-31(16-28(35)44)55-25-9-10-38(5)23(13-25)7-8-26(37(38)48)41(50)12-11-40(49,39(41,6)22(4)42)24-14-30(46)51-18-24/h14,19-21,23,25-28,31-36,43-44,47,49-50H,7-13,15-18H2,1-6H3/t19?,20?,21?,23?,25?,26?,27?,28?,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:27]([OH:43])[CH2:15][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:25]4[CH2:9][CH2:10][C:38]5([CH3:5])[CH:23]([CH2:7][CH2:8][CH:26]([C:41]6([OH:50])[CH2:12][CH2:11][C:40]([C:24]7=[CH:14][C:30](=[O:46])[O:51][CH2:18]7)([OH:49])[C:39]6([CH3:6])[C:22]([CH3:4])=[O:42])[C:37]5=[O:48])[CH2:13]4)[CH2:16][CH:28]3[OH:44])[CH2:17][C:29]2=[O:45])[O:52]1 |
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