| Properties | Image |
|---|
| MNX_ID | MNXM1174208 |
 |
| reference | envipathM:...c5462f24a896 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | JIHQELCSQFJGGP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-34(48)25(43)13-32(52-17)57-36-19(3)54-33(15-27(36)45)58-35-18(2)53-31(14-26(35)44)55-20-6-8-38(4)23(10-20)24(42)12-28-40(50)9-7-22(21-11-30(47)56-37(21)49)39(40,5)29(46)16-41(28,38)51/h11,17-20,22-25,28-29,31-37,42-43,46,48-51H,6-10,12-16H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3(O)CC(O)C3(C)C(C4=CC(=O)OC4O)CCC23O)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(43)13-32(52-17)57-36-19(3)54-33(15-27(36)45)58-35-18(2)53-31(14-26(35)44)55-20-6-8-38(4)23(10-20)24(42)12-28-40(50)9-7-22(21-11-30(47)56-37(21)49)39(40,5)29(46)16-41(28,38)51/h11,17-20,22-25,28-29,31-37,42-43,46,48-51H,6-10,12-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[CH:25]([OH:43])[CH2:13][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:20]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:23]([CH2:10]4)[CH:24]([OH:42])[CH2:12][CH:28]4[C:40]6([OH:50])[CH2:9][CH2:7][CH:22]([C:21]7=[CH:11][C:30](=[O:47])[O:56][CH:37]7[OH:49])[C:39]6([CH3:5])[CH:29]([OH:46])[CH2:16][C:41]45[OH:51])[CH2:14][C:26]3=[O:44])[CH2:15][C:27]2=[O:45])[O:52]1 |
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