| Properties | Image |
|---|
| MNX_ID | MNXM1183451 |
 |
| reference | envipathM:...79f6ed587d45 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | RCZHSMGYCATFOL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-35(58-32-14-26(45)36(19(2)55-32)59-33-12-24(43)34(49)27(16-42)57-33)25(44)13-31(54-18)56-22-5-7-37(3)21(10-22)11-28(46)41(52)39(50)8-6-23(20-9-30(48)53-17-20)38(39,4)29(47)15-40(37,41)51/h9,16,18-19,21-29,31-36,43-47,49-52H,5-8,10-15,17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2(O)C3(O)CC(O)C3(C)C(C4=CC(=O)OC4)CCC32O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-35(58-32-14-26(45)36(19(2)55-32)59-33-12-24(43)34(49)27(16-42)57-33)25(44)13-31(54-18)56-22-5-7-37(3)21(10-22)11-28(46)41(52)39(50)8-6-23(20-9-30(48)53-17-20)38(39,4)29(47)15-40(37,41)51/h9,16,18-19,21-29,31-36,43-47,49-52H,5-8,10-15,17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:32]2[CH2:14][CH:26]([OH:45])[CH:36]([O:59][CH:33]3[CH2:12][CH:24]([OH:43])[CH:34]([OH:49])[CH:27]([CH:16]=[O:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:25]([OH:44])[CH2:13][CH:31]([O:56][CH:22]2[CH2:5][CH2:7][C:37]3([CH3:3])[CH:21]([CH2:10]2)[CH2:11][CH:28]([OH:46])[C:41]2([OH:52])[C:39]4([OH:50])[CH2:8][CH2:6][CH:23]([C:20]5=[CH:9][C:30](=[O:48])[O:53][CH2:17]5)[C:38]4([CH3:4])[CH:29]([OH:47])[CH2:15][C:40]32[OH:51])[O:54]1 |
|