| Properties | Image |
|---|
| MNX_ID | MNXM1197749 |
 |
| reference | envipathM:...9bbf4ff5c9d6 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | NQKIXJAJZJPGRB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-34(48)24(42)11-32(53-18)57-36-20(3)55-33(13-26(36)44)58-35-19(2)54-31(12-25(35)43)56-22-6-8-37(4)27-14-28(45)38(5)23(21-10-30(47)52-17-21)7-9-40(38,50)41(27,51)29(46)16-39(37,49)15-22/h18-25,27-29,31-36,42-43,45-46,48-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(C7COC(=O)C7)CCC6(O)C5(O)C(O)CC4(O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-34(48)24(42)11-32(53-18)57-36-20(3)55-33(13-26(36)44)58-35-19(2)54-31(12-25(35)43)56-22-6-8-37(4)27-14-28(45)38(5)23(21-10-30(47)52-17-21)7-9-40(38,50)41(27,51)29(46)16-39(37,49)15-22/h18-25,27-29,31-36,42-43,45-46,48-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:24]([OH:42])[CH2:11][CH:32]([O:57][CH:36]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:22]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:27]6[CH2:14][CH:28]([OH:45])[C:38]7([CH3:5])[CH:23]([CH:21]8[CH2:10][C:30](=[O:47])[O:52][CH2:17]8)[CH2:7][CH2:9][C:40]7([OH:50])[C:41]6([OH:51])[CH:29]([OH:46])[CH2:16][C:39]5([OH:49])[CH2:15]4)[CH2:12][CH:25]3[OH:43])[CH2:13][C:26]2=[O:44])[O:53]1 |
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