| Properties | Image |
|---|
| MNX_ID | MNXM1182551 |
 |
| reference | envipathM:...494a305ebc5f |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | XZSCEASZYOXTFN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-17-35(48)26(43)14-32(51-17)56-37-19(3)53-33(16-28(37)45)57-36-18(2)52-31(15-27(36)44)54-21-6-8-39(4)20(10-21)11-25(42)34-24(39)13-29(46)40(5)23(7-9-41(34,40)50)22-12-30(47)55-38(22)49/h12,17-21,23-26,29,31-38,42-43,46,48-50H,6-11,13-16H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2C3CC(O)C3(C)C(C4=CC(=O)OC4O)CCC23O)CC(=O)C1OC1CC(=O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-17-35(48)26(43)14-32(51-17)56-37-19(3)53-33(16-28(37)45)57-36-18(2)52-31(15-27(36)44)54-21-6-8-39(4)20(10-21)11-25(42)34-24(39)13-29(46)40(5)23(7-9-41(34,40)50)22-12-30(47)55-38(22)49/h12,17-21,23-26,29,31-38,42-43,46,48-50H,6-11,13-16H2,1-5H3/t17?,18?,19?,20?,21?,23?,24?,25?,26?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:48])[CH:26]([OH:43])[CH2:14][CH:32]([O:56][CH:37]2[CH:19]([CH3:3])[O:53][CH:33]([O:57][CH:36]3[CH:18]([CH3:2])[O:52][CH:31]([O:54][CH:21]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:20]([CH2:10]4)[CH2:11][CH:25]([OH:42])[CH:34]4[CH:24]5[CH2:13][CH:29]([OH:46])[C:40]5([CH3:5])[CH:23]([C:22]6=[CH:12][C:30](=[O:47])[O:55][CH:38]6[OH:49])[CH2:7][CH2:9][C:41]45[OH:50])[CH2:15][C:27]3=[O:44])[CH2:16][C:28]2=[O:45])[O:51]1 |
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