| Properties | Image |
|---|
| MNX_ID | MNXM1194666 |
 |
| reference | envipathM:...5e951601351b |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | RJZMFOYRJOURGT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-19-35(58-33-11-23(44)34(49)26(16-42)56-33)24(45)12-31(54-19)59-36-25(46)13-32(57-27(36)17-43)55-21-4-6-37(2)28-14-29(47)38(3)22(20-10-30(48)53-18-20)5-7-41(38,52)40(28,51)9-8-39(37,50)15-21/h10,16,19,21-29,31-36,43-47,49-52H,4-9,11-15,17-18H2,1-3H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(C7=CC(=O)OC7)CCC6(O)C5(O)CCC4(O)C3)OC2CO)CC(O)C1OC1CC(O)C(O)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-19-35(58-33-11-23(44)34(49)26(16-42)56-33)24(45)12-31(54-19)59-36-25(46)13-32(57-27(36)17-43)55-21-4-6-37(2)28-14-29(47)38(3)22(20-10-30(48)53-18-20)5-7-41(38,52)40(28,51)9-8-39(37,50)15-21/h10,16,19,21-29,31-36,43-47,49-52H,4-9,11-15,17-18H2,1-3H3/t19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([O:58][CH:33]2[CH2:11][CH:23]([OH:44])[CH:34]([OH:49])[CH:26]([CH:16]=[O:42])[O:56]2)[CH:24]([OH:45])[CH2:12][CH:31]([O:59][CH:36]2[CH:25]([OH:46])[CH2:13][CH:32]([O:55][CH:21]3[CH2:4][CH2:6][C:37]4([CH3:2])[CH:28]5[CH2:14][CH:29]([OH:47])[C:38]6([CH3:3])[CH:22]([C:20]7=[CH:10][C:30](=[O:48])[O:53][CH2:18]7)[CH2:5][CH2:7][C:41]6([OH:52])[C:40]5([OH:51])[CH2:9][CH2:8][C:39]4([OH:50])[CH2:15]3)[O:57][CH:27]2[CH2:17][OH:43])[O:54]1 |
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