| Properties | Image |
|---|
| MNX_ID | MNXM1191836 |
 |
| reference | envipathM:...da71de5ed0d9 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | OEEAIYBFJWWRTN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-19-35(48)25(43)13-32(52-19)56-36-20(2)53-33(14-26(36)44)57-37-27(45)15-34(55-28(37)17-42)54-23-6-8-38(3)22(12-23)5-9-40(49)29(38)16-30(46)39(4)24(7-10-41(39,40)50)21-11-31(47)51-18-21/h11,17,19-20,22-25,27-29,32-37,43,45,48-50H,5-10,12-16,18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4CC(=O)C4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2C=O)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-19-35(48)25(43)13-32(52-19)56-36-20(2)53-33(14-26(36)44)57-37-27(45)15-34(55-28(37)17-42)54-23-6-8-38(3)22(12-23)5-9-40(49)29(38)16-30(46)39(4)24(7-10-41(39,40)50)21-11-31(47)51-18-21/h11,17,19-20,22-25,27-29,32-37,43,45,48-50H,5-10,12-16,18H2,1-4H3/t19?,20?,22?,23?,24?,25?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:48])[CH:25]([OH:43])[CH2:13][CH:32]([O:56][CH:36]2[CH:20]([CH3:2])[O:53][CH:33]([O:57][CH:37]3[CH:27]([OH:45])[CH2:15][CH:34]([O:54][CH:23]4[CH2:6][CH2:8][C:38]5([CH3:3])[CH:22]([CH2:5][CH2:9][C:40]6([OH:49])[CH:29]5[CH2:16][C:30](=[O:46])[C:39]5([CH3:4])[CH:24]([C:21]7=[CH:11][C:31](=[O:47])[O:51][CH2:18]7)[CH2:7][CH2:10][C:41]56[OH:50])[CH2:12]4)[O:55][CH:28]3[CH:17]=[O:42])[CH2:14][C:26]2=[O:44])[O:52]1 |
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