| Properties | Image |
|---|
| MNX_ID | MNXM1191792 |
 |
| reference | envipathM:...cd640bef6660 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | NIYKMMYSNOMPBP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)22(42)9-31(54-17)58-36-19(3)56-32(11-24(36)44)59-35-18(2)55-30(10-23(35)43)57-21-6-7-37(4)26-12-27(46)38(5)33(20-8-29(48)53-16-20)25(45)14-41(38,52)39(26,50)15-28(47)40(37,51)13-21/h8,17-19,21-22,24-28,30-36,42,44-47,49-52H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC5(O)C4(O)CC(O)C3(O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)22(42)9-31(54-17)58-36-19(3)56-32(11-24(36)44)59-35-18(2)55-30(10-23(35)43)57-21-6-7-37(4)26-12-27(46)38(5)33(20-8-29(48)53-16-20)25(45)14-41(38,52)39(26,50)15-28(47)40(37,51)13-21/h8,17-19,21-22,24-28,30-36,42,44-47,49-52H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,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:17]1[CH:34]([OH:49])[CH:22]([OH:42])[CH2:9][CH:31]([O:58][CH:36]2[CH:19]([CH3:3])[O:56][CH:32]([O:59][CH:35]3[CH:18]([CH3:2])[O:55][CH:30]([O:57][CH:21]4[CH2:6][CH2:7][C:37]5([CH3:4])[CH:26]6[CH2:12][CH:27]([OH:46])[C:38]7([CH3:5])[CH:33]([C:20]8=[CH:8][C:29](=[O:48])[O:53][CH2:16]8)[CH:25]([OH:45])[CH2:14][C:41]7([OH:52])[C:39]6([OH:50])[CH2:15][CH:28]([OH:47])[C:40]5([OH:51])[CH2:13]4)[CH2:10][C:23]3=[O:43])[CH2:11][CH:24]2[OH:44])[O:54]1 |
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