| Properties | Image |
|---|
| MNX_ID | MNXM1194107 |
 |
| reference | envipathM:...fa08628b1de0 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | GXPBNABBJWMWAI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)25(44)13-31(52-17)57-36-18(2)53-32(14-26(36)45)58-37-27(46)15-33(55-28(37)16-42)54-20-5-7-39(3)19(9-20)10-24(43)34-23(39)12-29(47)40(4)22(6-8-41(34,40)51)21-11-30(48)56-38(21)50/h11,17-20,22-24,26-29,31-37,42-43,45-47,49,51H,5-10,12-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6=CC(=O)OC6=O)CCC45O)OC3CO)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)25(44)13-31(52-17)57-36-18(2)53-32(14-26(36)45)58-37-27(46)15-33(55-28(37)16-42)54-20-5-7-39(3)19(9-20)10-24(43)34-23(39)12-29(47)40(4)22(6-8-41(34,40)51)21-11-30(48)56-38(21)50/h11,17-20,22-24,26-29,31-37,42-43,45-47,49,51H,5-10,12-16H2,1-4H3/t17?,18?,19?,20?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[C:25](=[O:44])[CH2:13][CH:31]([O:57][CH:36]2[CH:18]([CH3:2])[O:53][CH:32]([O:58][CH:37]3[CH:27]([OH:46])[CH2:15][CH:33]([O:54][CH:20]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:19]([CH2:9]4)[CH2:10][CH:24]([OH:43])[CH:34]4[CH:23]5[CH2:12][CH:29]([OH:47])[C:40]5([CH3:4])[CH:22]([C:21]6=[CH:11][C:30](=[O:48])[O:56][C:38]6=[O:50])[CH2:6][CH2:8][C:41]45[OH:51])[O:55][CH:28]3[CH2:16][OH:42])[CH2:14][CH:26]2[OH:45])[O:52]1 |
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