| Properties | Image |
|---|
| MNX_ID | MNXM1179173 |
 |
| reference | envipathM:...882c9b9db693 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | OUOGPKRAMFSWAY-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-36(58-32-12-24(45)37(18(2)55-32)59-33-10-22(43)35(50)26(15-42)57-33)23(44)11-31(54-17)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/h7,17-18,20-21,23-29,31-37,42,44-48,50-52H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4(O)C3CC(O)C3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-36(58-32-12-24(45)37(18(2)55-32)59-33-10-22(43)35(50)26(15-42)57-33)23(44)11-31(54-17)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/h7,17-18,20-21,23-29,31-37,42,44-48,50-52H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([O:58][CH:32]2[CH2:12][CH:24]([OH:45])[CH:37]([O:59][CH:33]3[CH2:10][C:22](=[O:43])[CH:35]([OH:50])[CH:26]([CH2:15][OH:42])[O:57]3)[CH:18]([CH3:2])[O:55]2)[CH:23]([OH:44])[CH2:11][CH:31]([O:56][CH:21]2[CH2:8][CH:20]3[CH2:5][CH2:6][C:40]4([OH:51])[CH:27]([CH2:13][CH:29]([OH:48])[C:39]5([CH3:4])[CH:34]([C:19]6=[CH:7][C:30](=[O:49])[O:53][CH2:16]6)[CH:25]([OH:46])[CH2:14][C:41]54[OH:52])[C:38]3([CH3:3])[CH:28]([OH:47])[CH2:9]2)[O:54]1 |
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