| Properties | Image |
|---|
| MNX_ID | MNXM1178645 |
 |
| reference | envipathM:...b46e51d634f3 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | MHFLLJWDXPUHNP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-35(48)26(43)14-32(52-18)56-37-20(3)54-33(16-28(37)45)57-36-19(2)53-31(15-27(36)44)55-23-6-7-38(4)21(10-23)11-25(42)34-24(38)13-29(46)39(5)40(49,8-9-41(34,39)50)22-12-30(47)51-17-22/h12,18-21,23-25,27-29,31-34,36-37,42,44-46,49-50H,6-11,13-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(O)(C6=CC(=O)OC6)CCC45O)OC3C)OC2C)CC(=O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-35(48)26(43)14-32(52-18)56-37-20(3)54-33(16-28(37)45)57-36-19(2)53-31(15-27(36)44)55-23-6-7-38(4)21(10-23)11-25(42)34-24(38)13-29(46)39(5)40(49,8-9-41(34,39)50)22-12-30(47)51-17-22/h12,18-21,23-25,27-29,31-34,36-37,42,44-46,49-50H,6-11,13-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:35](=[O:48])[C:26](=[O:43])[CH2:14][CH:32]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:33]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:31]([O:55][CH:23]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:21]([CH2:10]4)[CH2:11][CH:25]([OH:42])[CH:34]4[CH:24]5[CH2:13][CH:29]([OH:46])[C:39]5([CH3:5])[C:40]([C:22]6=[CH:12][C:30](=[O:47])[O:51][CH2:17]6)([OH:49])[CH2:8][CH2:9][C:41]45[OH:50])[CH2:15][CH:27]3[OH:44])[CH2:16][CH:28]2[OH:45])[O:52]1 |
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