| Properties | Image |
|---|
| MNX_ID | MNXM1193882 |
 |
| reference | envipathM:...414330f1ae23 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | BZLSCOMOAVYCFN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-34(48)25(42)14-32(52-17)57-36-19(3)54-33(16-27(36)44)58-35-18(2)53-31(15-26(35)43)55-21-10-20-6-7-22-23(38(20,4)28(45)11-21)12-29(46)39(5)40(22,50)8-9-41(39,51)24-13-30(47)56-37(24)49/h13,17-23,25,27-29,31-36,42,44-46,48,50-51H,6-12,14-16H2,1-5H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3CC(O)C3(C)C(O)(C5=CC(=O)OC5=O)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-34(48)25(42)14-32(52-17)57-36-19(3)54-33(16-27(36)44)58-35-18(2)53-31(15-26(35)43)55-21-10-20-6-7-22-23(38(20,4)28(45)11-21)12-29(46)39(5)40(22,50)8-9-41(39,51)24-13-30(47)56-37(24)49/h13,17-23,25,27-29,31-36,42,44-46,48,50-51H,6-12,14-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[CH:25]([OH:42])[CH2:14][CH:32]([O:57][CH:36]2[CH:19]([CH3:3])[O:54][CH:33]([O:58][CH:35]3[CH:18]([CH3:2])[O:53][CH:31]([O:55][CH:21]4[CH2:10][CH:20]5[CH2:6][CH2:7][CH:22]6[CH:23]([CH2:12][CH:29]([OH:46])[C:39]7([CH3:5])[C:40]6([OH:50])[CH2:8][CH2:9][C:41]7([C:24]6=[CH:13][C:30](=[O:47])[O:56][C:37]6=[O:49])[OH:51])[C:38]5([CH3:4])[CH:28]([OH:45])[CH2:11]4)[CH2:15][C:26]3=[O:43])[CH2:16][CH:27]2[OH:44])[O:52]1 |
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