| Properties | Image |
|---|
| MNX_ID | MNXM1138534 |
 |
| reference | envipathM:...acc3b7e20725 |
| formula | C41H60O15 |
| global charge | 0 |
| mol weight | 792.916 |
| InChIKey | IWSRLLDGOLGWGF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O15/c1-19-35(47)26(42)14-33(51-19)55-37-21(3)53-34(16-28(37)44)56-36-20(2)52-32(15-27(36)43)54-24-7-9-38(4)23(13-24)6-10-40(48)29(38)17-30(45)39(5)25(8-11-41(39,40)49)22-12-31(46)50-18-22/h12,19-21,23-25,27,29-30,32-37,43,45,47-49H,6-11,13-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O15/c1-19-35(47)26(42)14-33(51-19)55-37-21(3)53-34(16-28(37)44)56-36-20(2)52-32(15-27(36)43)54-24-7-9-38(4)23(13-24)6-10-40(48)29(38)17-30(45)39(5)25(8-11-41(39,40)49)22-12-31(46)50-18-22/h12,19-21,23-25,27,29-30,32-37,43,45,47-49H,6-11,13-18H2,1-5H3/t19?,20?,21?,23?,24?,25?,27?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:47])[C:26](=[O:42])[CH2:14][CH:33]([O:55][CH:37]2[CH:21]([CH3:3])[O:53][CH:34]([O:56][CH:36]3[CH:20]([CH3:2])[O:52][CH:32]([O:54][CH:24]4[CH2:7][CH2:9][C:38]5([CH3:4])[CH:23]([CH2:6][CH2:10][C:40]6([OH:48])[CH:29]5[CH2:17][CH:30]([OH:45])[C:39]5([CH3:5])[CH:25]([C:22]7=[CH:12][C:31](=[O:46])[O:50][CH2:18]7)[CH2:8][CH2:11][C:41]56[OH:49])[CH2:13]4)[CH2:15][CH:27]3[OH:43])[CH2:16][C:28]2=[O:44])[O:51]1 |
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