| Properties | Image |
|---|
| MNX_ID | MNXM1170521 |
 |
| reference | envipathM:...7cf34503d0f1 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | NRMCYCSNQBSLFJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-36(57-34-15-28(45)37(29(18-43)55-34)58-35-16-32(49)56-38(50)20(2)53-35)27(44)14-33(52-19)54-23-7-9-39(3)22(12-23)5-6-25-26(39)13-30(46)40(4)24(8-10-41(25,40)51)21(17-42)11-31(47)48/h11,18-20,22-30,32-37,42,44-46,49,51H,5-10,12-17H2,1-4H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C=O)CC(O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-36(57-34-15-28(45)37(29(18-43)55-34)58-35-16-32(49)56-38(50)20(2)53-35)27(44)14-33(52-19)54-23-7-9-39(3)22(12-23)5-6-25-26(39)13-30(46)40(4)24(8-10-41(25,40)51)21(17-42)11-31(47)48/h11,18-20,22-30,32-37,42,44-46,49,51H,5-10,12-17H2,1-4H3,(H,47,48)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:57][CH:34]2[CH2:15][CH:28]([OH:45])[CH:37]([O:58][CH:35]3[CH2:16][CH:32]([OH:49])[O:56][C:38](=[O:50])[CH:20]([CH3:2])[O:53]3)[CH:29]([CH:18]=[O:43])[O:55]2)[CH:27]([OH:44])[CH2:14][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][CH:30]([OH:46])[C:40]3([CH3:4])[CH:24]([C:21](=[CH:11][C:31](=[O:47])[OH:48])[CH2:17][OH:42])[CH2:8][CH2:10][C:41]43[OH:51])[CH2:12]2)[O:52]1 |
|