| Properties | Image |
|---|
| MNX_ID | MNXM1184424 |
 |
| reference | envipathM:...4d1e43860629 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | QHVPXOYCKJJCCG-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-34(49)24(43)11-32(54-18)59-36-26(45)13-33(57-27(36)16-42)58-35-19(2)55-31(12-25(35)44)56-21-5-7-37(3)23-10-28(46)38(4)40(51,22(23)6-8-39(37,50)14-21)15-29(47)41(38,52)20-9-30(48)53-17-20/h9,18-19,21-25,27-29,31-36,42-44,46-47,49-52H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(O)(CC(O)C7(O)C7=CC(=O)OC7)C6CCC5(O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-34(49)24(43)11-32(54-18)59-36-26(45)13-33(57-27(36)16-42)58-35-19(2)55-31(12-25(35)44)56-21-5-7-37(3)23-10-28(46)38(4)40(51,22(23)6-8-39(37,50)14-21)15-29(47)41(38,52)20-9-30(48)53-17-20/h9,18-19,21-25,27-29,31-36,42-44,46-47,49-52H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,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:49])[CH:24]([OH:43])[CH2:11][CH:32]([O:59][CH:36]2[C:26](=[O:45])[CH2:13][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:55][CH:31]([O:56][CH:21]4[CH2:5][CH2:7][C:37]5([CH3:3])[CH:23]6[CH2:10][CH:28]([OH:46])[C:38]7([CH3:4])[C:40]([OH:51])([CH2:15][CH:29]([OH:47])[C:41]7([C:20]7=[CH:9][C:30](=[O:48])[O:53][CH2:17]7)[OH:52])[CH:22]6[CH2:6][CH2:8][C:39]5([OH:50])[CH2:14]4)[CH2:12][CH:25]3[OH:44])[O:57][CH:27]2[CH2:16][OH:42])[O:54]1 |
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