| Properties | Image |
|---|
| MNX_ID | MNXM1188438 |
 |
| reference | envipathM:...e098238e23f8 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | DMPKRLXKAHEFHB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-36(57-34-15-27(46)37(29(17-43)55-34)58-33-13-25(44)35(49)28(16-42)54-33)26(45)14-32(52-18)53-20-6-8-39(2)19(10-20)4-5-23-24(39)12-30(47)40(3)22(7-9-41(23,40)51)21-11-31(48)56-38(21)50/h11,16,18-20,22-30,32-38,43-47,49-51H,4-10,12-15,17H2,1-3H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C5=CC(=O)OC5O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(57-34-15-27(46)37(29(17-43)55-34)58-33-13-25(44)35(49)28(16-42)54-33)26(45)14-32(52-18)53-20-6-8-39(2)19(10-20)4-5-23-24(39)12-30(47)40(3)22(7-9-41(23,40)51)21-11-31(48)56-38(21)50/h11,16,18-20,22-30,32-38,43-47,49-51H,4-10,12-15,17H2,1-3H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:34]2[CH2:15][CH:27]([OH:46])[CH:37]([O:58][CH:33]3[CH2:13][CH:25]([OH:44])[CH:35]([OH:49])[CH:28]([CH:16]=[O:42])[O:54]3)[CH:29]([CH2:17][OH:43])[O:55]2)[CH:26]([OH:45])[CH2:14][CH:32]([O:53][CH:20]2[CH2:6][CH2:8][C:39]3([CH3:2])[CH:19]([CH2:4][CH2:5][CH:23]4[CH:24]3[CH2:12][CH:30]([OH:47])[C:40]3([CH3:3])[CH:22]([C:21]5=[CH:11][C:31](=[O:48])[O:56][CH:38]5[OH:50])[CH2:7][CH2:9][C:41]43[OH:51])[CH2:10]2)[O:52]1 |
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