| Properties | Image |
|---|
| MNX_ID | MNXM1319203 |
 |
| reference | envipathM:...3d66c9c7e2cd |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | BEDNRULLZFZFIA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-34(48)24(42)12-31(52-17)57-36-19(3)54-32(14-26(36)44)58-35-18(2)53-30(13-25(35)43)55-20-6-8-38(4)23-11-28(46)39(5)22(21-10-29(47)56-37(21)49)7-9-41(39,51)33(23)27(45)16-40(38,50)15-20/h10,17-20,22-27,30-37,42-45,48-51H,6-9,11-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C7(C)C(C8=CC(=O)OC8O)CCC7(O)C6C(O)CC5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-34(48)24(42)12-31(52-17)57-36-19(3)54-32(14-26(36)44)58-35-18(2)53-30(13-25(35)43)55-20-6-8-38(4)23-11-28(46)39(5)22(21-10-29(47)56-37(21)49)7-9-41(39,51)33(23)27(45)16-40(38,50)15-20/h10,17-20,22-27,30-37,42-45,48-51H,6-9,11-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,26?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:48])[CH:24]([OH:42])[CH2:12][CH:31]([O:57][CH:36]2[CH:19]([CH3:3])[O:54][CH:32]([O:58][CH:35]3[CH:18]([CH3:2])[O:53][CH:30]([O:55][CH:20]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:23]6[CH2:11][C:28](=[O:46])[C:39]7([CH3:5])[CH:22]([C:21]8=[CH:10][C:29](=[O:47])[O:56][CH:37]8[OH:49])[CH2:7][CH2:9][C:41]7([OH:51])[CH:33]6[CH:27]([OH:45])[CH2:16][C:40]5([OH:50])[CH2:15]4)[CH2:13][CH:25]3[OH:43])[CH2:14][CH:26]2[OH:44])[O:52]1 |
|