| Properties | Image |
|---|
| MNX_ID | MNXM1175634 |
 |
| reference | envipathM:...a7f194d9eca9 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | UWTLUUBNTIJTEV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-33(48)22(42)10-31(54-18)58-35-20(3)56-32(12-24(35)44)59-34-19(2)55-30(11-23(34)43)57-21-6-8-36(4)26-13-27(45)37(5)25(38(49)16-29(47)53-17-38)7-9-41(37,52)39(26,50)15-28(46)40(36,51)14-21/h18-28,30-32,34-35,42-46,49-52H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8(O)COC(=O)C8)CCC7(O)C6(O)CC(O)C5(O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-33(48)22(42)10-31(54-18)58-35-20(3)56-32(12-24(35)44)59-34-19(2)55-30(11-23(34)43)57-21-6-8-36(4)26-13-27(45)37(5)25(38(49)16-29(47)53-17-38)7-9-41(37,52)39(26,50)15-28(46)40(36,51)14-21/h18-28,30-32,34-35,42-46,49-52H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:33](=[O:48])[CH:22]([OH:42])[CH2:10][CH:31]([O:58][CH:35]2[CH:20]([CH3:3])[O:56][CH:32]([O:59][CH:34]3[CH:19]([CH3:2])[O:55][CH:30]([O:57][CH:21]4[CH2:6][CH2:8][C:36]5([CH3:4])[CH:26]6[CH2:13][CH:27]([OH:45])[C:37]7([CH3:5])[CH:25]([C:38]8([OH:49])[CH2:16][C:29](=[O:47])[O:53][CH2:17]8)[CH2:7][CH2:9][C:41]7([OH:52])[C:39]6([OH:50])[CH2:15][CH:28]([OH:46])[C:40]5([OH:51])[CH2:14]4)[CH2:11][CH:23]3[OH:43])[CH2:12][CH:24]2[OH:44])[O:54]1 |
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