| Properties | Image |
|---|
| MNX_ID | MNXM1178580 |
 |
| reference | envipathM:...a0862ea76953 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | PSCSZBRRHJDHQA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-36(49)27(43)13-34(52-19)56-38-21(3)54-35(15-29(38)45)57-37-20(2)53-33(14-28(37)44)55-25-6-8-39(4)23(12-25)11-24(42)17-41(50)9-7-26(22-10-32(48)51-18-22)40(41,5)31(47)16-30(39)46/h10,19-21,23,25-28,31,33-38,43-44,47,49-50H,6-9,11-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(=O)CC(O)C5(C)C(C6=CC(=O)OC6)CCC5(O)CC(=O)CC4C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-19-36(49)27(43)13-34(52-19)56-38-21(3)54-35(15-29(38)45)57-37-20(2)53-33(14-28(37)44)55-25-6-8-39(4)23(12-25)11-24(42)17-41(50)9-7-26(22-10-32(48)51-18-22)40(41,5)31(47)16-30(39)46/h10,19-21,23,25-28,31,33-38,43-44,47,49-50H,6-9,11-18H2,1-5H3/t19?,20?,21?,23?,25?,26?,27?,28?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([OH:49])[CH:27]([OH:43])[CH2:13][CH:34]([O:56][CH:38]2[CH:21]([CH3:3])[O:54][CH:35]([O:57][CH:37]3[CH:20]([CH3:2])[O:53][CH:33]([O:55][CH:25]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:23]([CH2:11][C:24](=[O:42])[CH2:17][C:41]6([OH:50])[CH2:9][CH2:7][CH:26]([C:22]7=[CH:10][C:32](=[O:48])[O:51][CH2:18]7)[C:40]6([CH3:5])[CH:31]([OH:47])[CH2:16][C:30]5=[O:46])[CH2:12]4)[CH2:14][CH:28]3[OH:44])[CH2:15][C:29]2=[O:45])[O:52]1 |
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