| Properties | Image |
|---|
| MNX_ID | MNXM1179519 |
 |
| reference | envipathM:...9f1bbebf3688 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | OOEMXJRMLHKIKX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-19-33(47)24(42)13-31(53-19)57-35-21(3)55-32(15-26(35)44)58-34-20(2)54-30(14-25(34)43)56-23-6-7-36(4)27-16-28(45)37(5)39(49,22-12-29(46)52-18-22)10-11-41(37,51)40(27,50)9-8-38(36,48)17-23/h12,19-21,23,25-28,30-32,34-35,43-45,48-51H,6-11,13-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(O)(C8=CC(=O)OC8)CCC7(O)C6(O)CCC5(O)C4)OC3C)OC2C)CC(=O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-19-33(47)24(42)13-31(53-19)57-35-21(3)55-32(15-26(35)44)58-34-20(2)54-30(14-25(34)43)56-23-6-7-36(4)27-16-28(45)37(5)39(49,22-12-29(46)52-18-22)10-11-41(37,51)40(27,50)9-8-38(36,48)17-23/h12,19-21,23,25-28,30-32,34-35,43-45,48-51H,6-11,13-18H2,1-5H3/t19?,20?,21?,23?,25?,26?,27?,28?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[C:33](=[O:47])[C:24](=[O:42])[CH2:13][CH:31]([O:57][CH:35]2[CH:21]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:20]([CH3:2])[O:54][CH:30]([O:56][CH:23]4[CH2:6][CH2:7][C:36]5([CH3:4])[CH:27]6[CH2:16][CH:28]([OH:45])[C:37]7([CH3:5])[C:39]([C:22]8=[CH:12][C:29](=[O:46])[O:52][CH2:18]8)([OH:49])[CH2:10][CH2:11][C:41]7([OH:51])[C:40]6([OH:50])[CH2:9][CH2:8][C:38]5([OH:48])[CH2:17]4)[CH2:14][CH:25]3[OH:43])[CH2:15][CH:26]2[OH:44])[O:53]1 |
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