| Properties | Image |
|---|
| MNX_ID | MNXM1186169 |
 |
| reference | envipathM:...a98b39d9bf72 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | VHLUJLPZAUOJSD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-19-34(48)24(43)13-32(53-19)58-36-26(45)15-33(56-27(36)17-42)57-35-20(2)54-31(14-25(35)44)55-23-6-7-37(3)21(11-23)5-8-40(50)28(37)16-29(46)38(4)39(49,9-10-41(38,40)51)22-12-30(47)52-18-22/h12,19-21,23-24,26-29,31-36,42-43,45-46,48-51H,5-11,13-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(O)(C5=CC(=O)OC5)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-34(48)24(43)13-32(53-19)58-36-26(45)15-33(56-27(36)17-42)57-35-20(2)54-31(14-25(35)44)55-23-6-7-37(3)21(11-23)5-8-40(50)28(37)16-29(46)38(4)39(49,9-10-41(38,40)51)22-12-30(47)52-18-22/h12,19-21,23-24,26-29,31-36,42-43,45-46,48-51H,5-11,13-18H2,1-4H3/t19?,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:19]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:20]([CH3:2])[O:54][CH:31]([O:55][CH:23]4[CH2:6][CH2:7][C:37]5([CH3:3])[CH:21]([CH2:5][CH2:8][C:40]6([OH:50])[CH:28]5[CH2:16][CH:29]([OH:46])[C:38]5([CH3:4])[C:39]([C:22]7=[CH:12][C:30](=[O:47])[O:52][CH2:18]7)([OH:49])[CH2:9][CH2:10][C:41]56[OH:51])[CH2:11]4)[CH2:14][C:25]3=[O:44])[O:56][CH:27]2[CH2:17][OH:42])[O:53]1 |
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