| Properties | Image |
|---|
| MNX_ID | MNXM1278902 |
 |
| reference | envipathM:...ab9779ed1621 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | BIOCHKKAWRDPRX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-19-35(57-32-14-26(45)36(20(2)54-32)58-33-12-24(43)34(48)27(17-42)56-33)25(44)13-31(53-19)55-22-5-7-37(3)28-15-29(46)38(4)23(21-11-30(47)52-18-21)6-8-41(38,51)40(28,50)10-9-39(37,49)16-22/h11,17,19-20,22-23,25-29,31-36,44-46,48-51H,5-10,12-16,18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C6=CC(=O)OC6)CCC5(O)C4(O)CCC3(O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-19-35(57-32-14-26(45)36(20(2)54-32)58-33-12-24(43)34(48)27(17-42)56-33)25(44)13-31(53-19)55-22-5-7-37(3)28-15-29(46)38(4)23(21-11-30(47)52-18-21)6-8-41(38,51)40(28,50)10-9-39(37,49)16-22/h11,17,19-20,22-23,25-29,31-36,44-46,48-51H,5-10,12-16,18H2,1-4H3/t19?,20?,22?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([O:57][CH:32]2[CH2:14][CH:26]([OH:45])[CH:36]([O:58][CH:33]3[CH2:12][C:24](=[O:43])[CH:34]([OH:48])[CH:27]([CH:17]=[O:42])[O:56]3)[CH:20]([CH3:2])[O:54]2)[CH:25]([OH:44])[CH2:13][CH:31]([O:55][CH:22]2[CH2:5][CH2:7][C:37]3([CH3:3])[CH:28]4[CH2:15][CH:29]([OH:46])[C:38]5([CH3:4])[CH:23]([C:21]6=[CH:11][C:30](=[O:47])[O:52][CH2:18]6)[CH2:6][CH2:8][C:41]5([OH:51])[C:40]4([OH:50])[CH2:10][CH2:9][C:39]3([OH:49])[CH2:16]2)[O:53]1 |
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