| Properties | Image |
|---|
| MNX_ID | MNXM1179012 |
 |
| reference | envipathM:...3626505550fd |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | KKKNSTUSUWUBEM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-35(50)22(43)10-31(54-17)58-36-18(2)55-32(11-23(36)44)59-37-24(45)12-33(57-26(37)15-42)56-21-8-20-5-6-40(51)27(38(20,3)28(47)9-21)13-29(48)39(4)34(19-7-30(49)53-16-19)25(46)14-41(39,40)52/h7,17-18,20-23,25-29,31-37,42-44,46-48,50-52H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CC(O)C5(C)C(CCC6(O)C5CC(O)C5(C)C(C7=CC(=O)OC7)C(O)CC65O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-35(50)22(43)10-31(54-17)58-36-18(2)55-32(11-23(36)44)59-37-24(45)12-33(57-26(37)15-42)56-21-8-20-5-6-40(51)27(38(20,3)28(47)9-21)13-29(48)39(4)34(19-7-30(49)53-16-19)25(46)14-41(39,40)52/h7,17-18,20-23,25-29,31-37,42-44,46-48,50-52H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:50])[CH:22]([OH:43])[CH2:10][CH:31]([O:58][CH:36]2[CH:18]([CH3:2])[O:55][CH:32]([O:59][CH:37]3[C:24](=[O:45])[CH2:12][CH:33]([O:56][CH:21]4[CH2:8][CH:20]5[CH2:5][CH2:6][C:40]6([OH:51])[CH:27]([CH2:13][CH:29]([OH:48])[C:39]7([CH3:4])[CH:34]([C:19]8=[CH:7][C:30](=[O:49])[O:53][CH2:16]8)[CH:25]([OH:46])[CH2:14][C:41]76[OH:52])[C:38]5([CH3:3])[CH:28]([OH:47])[CH2:9]4)[O:57][CH:26]3[CH2:15][OH:42])[CH2:11][CH:23]2[OH:44])[O:54]1 |
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