| Properties | Image |
|---|
| MNX_ID | MNXM1180441 |
 |
| reference | envipathM:...ad1f938613cf |
| formula | C41H59O16 |
| global charge | -1 |
| mol weight | 807.907 |
| InChIKey | MECOONWQVMLXAR-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H60O16/c1-19-37(56-34-16-29(46)38(20(2)53-34)57-35-14-27(44)36(50)30(18-43)55-35)28(45)15-33(52-19)54-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(47)40(4)24(8-10-41(25,40)51)21(17-42)11-32(48)49/h11,18-20,22-27,29-30,33-38,42,44,46,50-51H,5-10,12-17H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(=O)C3(C)C(C(=CC(=O)[O-])CO)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-19-37(56-34-16-29(46)38(20(2)53-34)57-35-14-27(44)36(50)30(18-43)55-35)28(45)15-33(52-19)54-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(47)40(4)24(8-10-41(25,40)51)21(17-42)11-32(48)49/h11,18-20,22-27,29-30,33-38,42,44,46,50-51H,5-10,12-17H2,1-4H3,(H,48,49)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,29?,30?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:37]([O:56][CH:34]2[CH2:16][CH:29]([OH:46])[CH:38]([O:57][CH:35]3[CH2:14][CH:27]([OH:44])[CH:36]([OH:50])[CH:30]([CH:18]=[O:43])[O:55]3)[CH:20]([CH3:2])[O:53]2)[C:28](=[O:45])[CH2:15][CH:33]([O:54][CH:23]2[CH2:7][CH2:9][C:39]3([CH3:3])[CH:22]([CH2:5][CH2:6][CH:25]4[CH:26]3[CH2:13][C:31](=[O:47])[C:40]3([CH3:4])[CH:24]([C:21](=[CH:11][C:32](=[O:48])[OH:49])[CH2:17][OH:42])[CH2:8][CH2:10][C:41]43[OH:51])[CH2:12]2)[O:52]1 |
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