| Properties | Image |
|---|
| MNX_ID | MNXM1186090 |
 |
| reference | envipathM:...a8b88c600d00 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | ZEWHGHUCIWPDPH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-19-33(48)24(43)12-31(54-19)59-35-26(45)14-32(57-27(35)17-42)58-34-20(2)55-30(13-25(34)44)56-22-5-7-36(3)38(49,15-22)9-10-40(51)39(50)8-6-23(21-11-29(47)53-18-21)37(39,4)28(46)16-41(36,40)52/h11,19-20,22-28,30-35,42-46,48-52H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CCC6(O)C7(O)CCC(C8=CC(=O)OC8)C7(C)C(O)CC56O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-33(48)24(43)12-31(54-19)59-35-26(45)14-32(57-27(35)17-42)58-34-20(2)55-30(13-25(34)44)56-22-5-7-36(3)38(49,15-22)9-10-40(51)39(50)8-6-23(21-11-29(47)53-18-21)37(39,4)28(46)16-41(36,40)52/h11,19-20,22-28,30-35,42-46,48-52H,5-10,12-18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:33]([OH:48])[CH:24]([OH:43])[CH2:12][CH:31]([O:59][CH:35]2[CH:26]([OH:45])[CH2:14][CH:32]([O:58][CH:34]3[CH:20]([CH3:2])[O:55][CH:30]([O:56][CH:22]4[CH2:5][CH2:7][C:36]5([CH3:3])[C:38]([OH:49])([CH2:9][CH2:10][C:40]6([OH:51])[C:39]7([OH:50])[CH2:8][CH2:6][CH:23]([C:21]8=[CH:11][C:29](=[O:47])[O:53][CH2:18]8)[C:37]7([CH3:4])[CH:28]([OH:46])[CH2:16][C:41]56[OH:52])[CH2:15]4)[CH2:13][CH:25]3[OH:44])[O:57][CH:27]2[CH2:17][OH:42])[O:54]1 |
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