| Properties | Image |
|---|
| MNX_ID | MNXM1181496 |
 |
| reference | envipathM:...b45320cbf4ba |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | UUKQOMSRXODGOC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-18-33(48)24(43)13-30(53-18)58-34-19(2)54-31(14-25(34)44)59-35-26(45)15-32(56-27(35)17-42)55-20-5-7-37(3)22-11-28(46)38(4)40(51,21(22)6-8-39(37,50)16-20)9-10-41(38,52)23-12-29(47)57-36(23)49/h12,18-22,24,26-28,30-36,42-43,45-46,48-52H,5-11,13-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(O)(C7=CC(=O)OC7O)CCC6(O)C5CCC4(O)C3)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-33(48)24(43)13-30(53-18)58-34-19(2)54-31(14-25(34)44)59-35-26(45)15-32(56-27(35)17-42)55-20-5-7-37(3)22-11-28(46)38(4)40(51,21(22)6-8-39(37,50)16-20)9-10-41(38,52)23-12-29(47)57-36(23)49/h12,18-22,24,26-28,30-36,42-43,45-46,48-52H,5-11,13-17H2,1-4H3/t18?,19?,20?,21?,22?,24?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:48])[CH:24]([OH:43])[CH2:13][CH:30]([O:58][CH:34]2[CH:19]([CH3:2])[O:54][CH:31]([O:59][CH:35]3[CH:26]([OH:45])[CH2:15][CH:32]([O:55][CH:20]4[CH2:5][CH2:7][C:37]5([CH3:3])[CH:22]6[CH2:11][CH:28]([OH:46])[C:38]7([CH3:4])[C:40]([OH:51])([CH2:9][CH2:10][C:41]7([C:23]7=[CH:12][C:29](=[O:47])[O:57][CH:36]7[OH:49])[OH:52])[CH:21]6[CH2:6][CH2:8][C:39]5([OH:50])[CH2:16]4)[O:56][CH:27]3[CH2:17][OH:42])[CH2:14][C:25]2=[O:44])[O:53]1 |
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