| Properties | Image |
|---|
| MNX_ID | MNXM1178668 |
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| reference | envipathM:...88ed0713983d |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | RWNFRHZSRRWRJD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-16-35(50)25(43)11-33(54-16)58-37-18(3)56-34(13-27(37)45)59-36-17(2)55-32(12-26(36)44)57-20-7-23-24(42)9-22-21(38(23,4)28(46)8-20)10-29(47)39(5)40(22,51)14-30(48)41(39,52)19-6-31(49)53-15-19/h6,16-18,20-23,25-30,32-37,43-48,50-52H,7-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)C(=O)CC4C5CC(O)C5(C)C4(O)CC(O)C5(O)C4=CC(=O)OC4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-16-35(50)25(43)11-33(54-16)58-37-18(3)56-34(13-27(37)45)59-36-17(2)55-32(12-26(36)44)57-20-7-23-24(42)9-22-21(38(23,4)28(46)8-20)10-29(47)39(5)40(22,51)14-30(48)41(39,52)19-6-31(49)53-15-19/h6,16-18,20-23,25-30,32-37,43-48,50-52H,7-15H2,1-5H3/t16?,17?,18?,20?,21?,22?,23?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:35]([OH:50])[CH:25]([OH:43])[CH2:11][CH:33]([O:58][CH:37]2[CH:18]([CH3:3])[O:56][CH:34]([O:59][CH:36]3[CH:17]([CH3:2])[O:55][CH:32]([O:57][CH:20]4[CH2:7][CH:23]5[C:24](=[O:42])[CH2:9][CH:22]6[CH:21]([CH2:10][CH:29]([OH:47])[C:39]7([CH3:5])[C:40]6([OH:51])[CH2:14][CH:30]([OH:48])[C:41]7([C:19]6=[CH:6][C:31](=[O:49])[O:53][CH2:15]6)[OH:52])[C:38]5([CH3:4])[CH:28]([OH:46])[CH2:8]4)[CH2:12][CH:26]3[OH:44])[CH2:13][CH:27]2[OH:45])[O:54]1 |
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