| Properties | Image |
|---|
| MNX_ID | MNXM1192188 |
 |
| reference | envipathM:...d46505866325 |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | VNDOCYCHUBVQGV-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-19-35(50)26(44)14-33(53-19)58-37-28(46)16-34(56-29(37)18-43)57-36-20(2)54-32(15-27(36)45)55-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(47)39(4)40(51,9-10-41(24,39)52)22(17-42)12-31(48)49/h17,19-30,32-37,43-47,50-52H,5-16,18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(O)(C(C=O)CC(=O)[O-])CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-19-35(50)26(44)14-33(53-19)58-37-28(46)16-34(56-29(37)18-43)57-36-20(2)54-32(15-27(36)45)55-23-7-8-38(3)21(11-23)5-6-24-25(38)13-30(47)39(4)40(51,9-10-41(24,39)52)22(17-42)12-31(48)49/h17,19-30,32-37,43-47,50-52H,5-16,18H2,1-4H3,(H,48,49)/t19?,20?,21?,22?,23?,24?,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:19]1[CH:35]([OH:50])[CH:26]([OH:44])[CH2:14][CH:33]([O:58][CH:37]2[CH:28]([OH:46])[CH2:16][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:54][CH:32]([O:55][CH:23]4[CH2:7][CH2:8][C:38]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:24]6[CH:25]5[CH2:13][CH:30]([OH:47])[C:39]5([CH3:4])[C:40]([CH:22]([CH2:12][C:31](=[O:48])[OH:49])[CH:17]=[O:42])([OH:51])[CH2:9][CH2:10][C:41]65[OH:52])[CH2:11]4)[CH2:15][CH:27]3[OH:45])[O:56][CH:29]2[CH2:18][OH:43])[O:53]1 |
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