| Properties | Image |
|---|
| MNX_ID | MNXM1186093 |
 |
| reference | envipathM:...b754166786d0 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | NJUULVZNCIJFHD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-19-35(49)26(43)13-33(53-19)57-37-21(3)55-34(15-28(37)45)58-36-20(2)54-32(14-27(36)44)56-25-6-8-38(4)22(11-25)10-24(42)16-40(38,50)17-30(47)39(5)29(46)7-9-41(39,51)23-12-31(48)52-18-23/h12,19-22,25-28,30,32-37,43-45,47,49-51H,6-11,13-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CC(=O)CC5(O)CC(O)C5(C)C(=O)CCC5(O)C5=CC(=O)OC5)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-35(49)26(43)13-33(53-19)57-37-21(3)55-34(15-28(37)45)58-36-20(2)54-32(14-27(36)44)56-25-6-8-38(4)22(11-25)10-24(42)16-40(38,50)17-30(47)39(5)29(46)7-9-41(39,51)23-12-31(48)52-18-23/h12,19-22,25-28,30,32-37,43-45,47,49-51H,6-11,13-18H2,1-5H3/t19?,20?,21?,22?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:49])[CH:26]([OH:43])[CH2:13][CH:33]([O:57][CH:37]2[CH:21]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:20]([CH3:2])[O:54][CH:32]([O:56][CH:25]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:22]([CH2:10][C:24](=[O:42])[CH2:16][C:40]5([CH2:17][CH:30]([C:39]5([CH3:5])[C:29](=[O:46])[CH2:7][CH2:9][C:41]5([C:23]5=[CH:12][C:31](=[O:48])[O:52][CH2:18]5)[OH:51])[OH:47])[OH:50])[CH2:11]4)[CH2:14][CH:27]3[OH:44])[CH2:15][CH:28]2[OH:45])[O:53]1 |
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