| Properties | Image |
|---|
| MNX_ID | MNXM1194597 |
 |
| reference | envipathM:...ff552b898acd |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | JKCRNDZWMSPSEE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-32(47)24(42)13-30(53-18)58-34-20(3)55-31(15-26(34)44)59-33-19(2)54-29(14-25(33)43)56-21-6-8-36(4)23-12-27(45)37(5)39(50,22(23)7-9-38(36,49)16-21)10-11-41(37,52)40(51)17-28(46)57-35(40)48/h18-24,26-27,29-35,42,44-45,47-52H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(O)(CCC5(O)C5(O)CC(=O)OC5O)C4CCC3(O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-32(47)24(42)13-30(53-18)58-34-20(3)55-31(15-26(34)44)59-33-19(2)54-29(14-25(33)43)56-21-6-8-36(4)23-12-27(45)37(5)39(50,22(23)7-9-38(36,49)16-21)10-11-41(37,52)40(51)17-28(46)57-35(40)48/h18-24,26-27,29-35,42,44-45,47-52H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:32]([OH:47])[CH:24]([OH:42])[CH2:13][CH:30]([O:58][CH:34]2[CH:20]([CH3:3])[O:55][CH:31]([O:59][CH:33]3[CH:19]([CH3:2])[O:54][CH:29]([O:56][CH:21]4[CH2:6][CH2:8][C:36]5([CH3:4])[CH:23]6[CH2:12][CH:27]([OH:45])[C:37]7([CH3:5])[C:39]([OH:50])([CH2:10][CH2:11][C:41]7([C:40]7([OH:51])[CH2:17][C:28](=[O:46])[O:57][CH:35]7[OH:48])[OH:52])[CH:22]6[CH2:7][CH2:9][C:38]5([OH:49])[CH2:16]4)[CH2:14][C:25]3=[O:43])[CH2:15][CH:26]2[OH:44])[O:53]1 |
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