| Properties | Image |
|---|
| MNX_ID | MNXM1183156 |
 |
| reference | envipathM:...9a580f84c1fc |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | KAKFMBFWSURXGI-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)25(43)13-33(52-17)58-37-27(45)15-34(55-28(37)16-42)57-36-18(2)53-32(14-26(36)44)54-20-9-19-5-6-23-24(39(19,3)29(46)10-20)12-30(47)40(4)22(7-8-41(23,40)51)21-11-31(48)56-38(21)50/h11,16-20,22-28,30,32-38,43-45,47,49-51H,5-10,12-15H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7O)CCC65O)C4)OC3C)OC2C=O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)25(43)13-33(52-17)58-37-27(45)15-34(55-28(37)16-42)57-36-18(2)53-32(14-26(36)44)54-20-9-19-5-6-23-24(39(19,3)29(46)10-20)12-30(47)40(4)22(7-8-41(23,40)51)21-11-31(48)56-38(21)50/h11,16-20,22-28,30,32-38,43-45,47,49-51H,5-10,12-15H2,1-4H3/t17?,18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[CH:25]([OH:43])[CH2:13][CH:33]([O:58][CH:37]2[CH:27]([OH:45])[CH2:15][CH:34]([O:57][CH:36]3[CH:18]([CH3:2])[O:53][CH:32]([O:54][CH:20]4[CH2:9][CH:19]5[CH2:5][CH2:6][CH:23]6[CH:24]([CH2:12][CH:30]([OH:47])[C:40]7([CH3:4])[CH:22]([C:21]8=[CH:11][C:31](=[O:48])[O:56][CH:38]8[OH:50])[CH2:7][CH2:8][C:41]67[OH:51])[C:39]5([CH3:3])[C:29](=[O:46])[CH2:10]4)[CH2:14][CH:26]3[OH:44])[O:55][CH:28]2[CH:16]=[O:42])[O:52]1 |
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