| Properties | Image |
|---|
| MNX_ID | MNXM1181997 |
 |
| reference | envipathM:...e241fbbb38a8 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | WVAKGTZQRLNMQI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)23(42)10-32(53-17)57-37-19(3)55-33(12-25(37)44)58-36-18(2)54-31(11-24(36)43)56-21-6-7-38(4)22(9-21)26(45)14-40(50)28(38)13-29(47)39(5)34(20-8-30(48)52-16-20)27(46)15-41(39,40)51/h8,17-19,21-24,26-29,31-34,36-37,42-43,45-47,50-51H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4(O)C5CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)23(42)10-32(53-17)57-37-19(3)55-33(12-25(37)44)58-36-18(2)54-31(11-24(36)43)56-21-6-7-38(4)22(9-21)26(45)14-40(50)28(38)13-29(47)39(5)34(20-8-30(48)52-16-20)27(46)15-41(39,40)51/h8,17-19,21-24,26-29,31-34,36-37,42-43,45-47,50-51H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:35](=[O:49])[CH:23]([OH:42])[CH2:10][CH:32]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:21]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:22]([CH2:9]4)[CH:26]([OH:45])[CH2:14][C:40]4([OH:50])[CH:28]5[CH2:13][CH:29]([OH:47])[C:39]5([CH3:5])[CH:34]([C:20]6=[CH:8][C:30](=[O:48])[O:52][CH2:16]6)[CH:27]([OH:46])[CH2:15][C:41]54[OH:51])[CH2:11][CH:24]3[OH:43])[CH2:12][C:25]2=[O:44])[O:53]1 |
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