| Properties | Image |
|---|
| MNX_ID | MNXM1138206 |
 |
| reference | envipathM:...0849f6cf343c |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | CGVIJYMKPSDUCV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-34(48)24(42)13-32(52-17)57-36-19(3)54-33(15-26(36)44)58-35-18(2)53-31(14-25(35)43)55-21-6-8-38(4)20(10-21)11-29(46)41(51)27(38)16-28(45)39(5)23(7-9-40(39,41)50)22-12-30(47)56-37(22)49/h12,17-21,23,25-27,29,31-37,43-44,46,48-51H,6-11,13-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4(O)C5CC(=O)C5(C)C(C6=CC(=O)OC6O)CCC54O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-34(48)24(42)13-32(52-17)57-36-19(3)54-33(15-26(36)44)58-35-18(2)53-31(14-25(35)43)55-21-6-8-38(4)20(10-21)11-29(46)41(51)27(38)16-28(45)39(5)23(7-9-40(39,41)50)22-12-30(47)56-37(22)49/h12,17-21,23,25-27,29,31-37,43-44,46,48-51H,6-11,13-16H2,1-5H3/t17?,18?,19?,20?,21?,23?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[C:24](=[O:42])[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:21]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:20]([CH2:10]4)[CH2:11][CH:29]([OH:46])[C:41]4([OH:51])[CH:27]5[CH2:16][C:28](=[O:45])[C:39]5([CH3:5])[CH:23]([C:22]6=[CH:12][C:30](=[O:47])[O:56][CH:37]6[OH:49])[CH2:7][CH2:9][C:40]54[OH:50])[CH2:14][CH:25]3[OH:43])[CH2:15][CH:26]2[OH:44])[O:52]1 |
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