| Properties | Image |
|---|
| MNX_ID | MNXM1139145 |
 |
| reference | envipathM:...3c76b4ef56b9 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | APPYXYGNWUUPHQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-19-36(57-34-12-24(44)35(49)27(16-42)55-34)25(45)13-32(53-19)58-37-26(46)14-33(56-28(37)17-43)54-22-5-7-38(2)21(11-22)4-8-40(50)29(38)15-30(47)39(3)23(6-9-41(39,40)51)20-10-31(48)52-18-20/h10,16,19,21-24,26-30,32-37,43-44,46-47,49-51H,4-9,11-15,17-18H2,1-3H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4CC(O)C4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-19-36(57-34-12-24(44)35(49)27(16-42)55-34)25(45)13-32(53-19)58-37-26(46)14-33(56-28(37)17-43)54-22-5-7-38(2)21(11-22)4-8-40(50)29(38)15-30(47)39(3)23(6-9-41(39,40)51)20-10-31(48)52-18-20/h10,16,19,21-24,26-30,32-37,43-44,46-47,49-51H,4-9,11-15,17-18H2,1-3H3/t19?,21?,22?,23?,24?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:57][CH:34]2[CH2:12][CH:24]([OH:44])[CH:35]([OH:49])[CH:27]([CH:16]=[O:42])[O:55]2)[C:25](=[O:45])[CH2:13][CH:32]([O:58][CH:37]2[CH:26]([OH:46])[CH2:14][CH:33]([O:54][CH:22]3[CH2:5][CH2:7][C:38]4([CH3:2])[CH:21]([CH2:4][CH2:8][C:40]5([OH:50])[CH:29]4[CH2:15][CH:30]([OH:47])[C:39]4([CH3:3])[CH:23]([C:20]6=[CH:10][C:31](=[O:48])[O:52][CH2:18]6)[CH2:6][CH2:9][C:41]45[OH:51])[CH2:11]3)[O:56][CH:28]2[CH2:17][OH:43])[O:53]1 |
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