| Properties | Image |
|---|
| MNX_ID | MNXM1173797 |
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| reference | envipathM:...aadd6d779760 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | DQWAKMCNGJZFJZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/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)5-6-22-23(38)12-29(46)39(4)28(8-10-41(22,39)51)40(50)16-30(47)56-37(40)49/h18-25,27-29,31-36,42-44,46,48,50-51H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7(O)CC(=O)OC7=O)CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/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)5-6-22-23(38)12-29(46)39(4)28(8-10-41(22,39)51)40(50)16-30(47)56-37(40)49/h18-25,27-29,31-36,42-44,46,48,50-51H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,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[C:26](=[O: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:22]6[CH:23]5[CH2:12][CH:29]([OH:46])[C:39]5([CH3:4])[CH:28]([C:40]7([OH:50])[CH2:16][C:30](=[O:47])[O:56][C:37]7=[O:49])[CH2:8][CH2:10][C:41]65[OH:51])[CH2:11]4)[CH2:14][CH:25]3[OH:44])[O:55][CH:27]2[CH2:17][OH:42])[O:52]1 |
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