| Properties | Image |
|---|
| MNX_ID | MNXM1198313 |
 |
| reference | envipathM:...5fcec75f3865 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | LSVANATUHNAXRD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-34(48)24(43)13-32(52-18)58-36-26(45)15-33(55-27(36)17-42)57-35-19(2)53-31(14-25(35)44)54-21-7-9-38(3)20(11-21)5-6-28-40(50)10-8-23(22-12-30(47)56-37(22)49)39(40,4)29(46)16-41(28,38)51/h12,17-21,23-24,26-29,31-37,43,45-46,48-51H,5-11,13-16H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3(O)CC(O)C3(C)C(C5=CC(=O)OC5O)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-34(48)24(43)13-32(52-18)58-36-26(45)15-33(55-27(36)17-42)57-35-19(2)53-31(14-25(35)44)54-21-7-9-38(3)20(11-21)5-6-28-40(50)10-8-23(22-12-30(47)56-37(22)49)39(40,4)29(46)16-41(28,38)51/h12,17-21,23-24,26-29,31-37,43,45-46,48-51H,5-11,13-16H2,1-4H3/t18?,19?,20?,21?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:24]([OH:43])[CH2:13][CH:32]([O:58][CH:36]2[CH:26]([OH:45])[CH2:15][CH:33]([O:57][CH:35]3[CH:19]([CH3:2])[O:53][CH:31]([O:54][CH:21]4[CH2:7][CH2:9][C:38]5([CH3:3])[CH:20]([CH2:5][CH2:6][CH:28]6[C:40]7([OH:50])[CH2:10][CH2:8][CH:23]([C:22]8=[CH:12][C:30](=[O:47])[O:56][CH:37]8[OH:49])[C:39]7([CH3:4])[CH:29]([OH:46])[CH2:16][C:41]65[OH:51])[CH2:11]4)[CH2:14][C:25]3=[O:44])[O:55][CH:27]2[CH:17]=[O:42])[O:52]1 |
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