| Properties | Image |
|---|
| MNX_ID | MNXM1190133 |
 |
| reference | envipathM:...2005dd6458dc |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | IGSUAGFRLVRBGM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-36(49)25(43)12-32(52-18)56-37-19(2)53-33(13-26(37)44)57-38-27(45)14-34(55-29(38)16-42)54-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(47)40(4)35(20-9-31(48)51-17-20)28(46)15-41(23,40)50/h9,18-19,21-25,27-29,32-38,42-43,45-46,49-50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(=O)C4(C)C(C6=CC(=O)OC6)C(O)CC54O)C3)OC2CO)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-36(49)25(43)12-32(52-18)56-37-19(2)53-33(13-26(37)44)57-38-27(45)14-34(55-29(38)16-42)54-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(47)40(4)35(20-9-31(48)51-17-20)28(46)15-41(23,40)50/h9,18-19,21-25,27-29,32-38,42-43,45-46,49-50H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[CH:25]([OH:43])[CH2:12][CH:32]([O:56][CH:37]2[CH:19]([CH3:2])[O:53][CH:33]([O:57][CH:38]3[CH:27]([OH:45])[CH2:14][CH:34]([O:54][CH:22]4[CH2:7][CH2:8][C:39]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:11][C:30](=[O:47])[C:40]5([CH3:4])[CH:35]([C:20]7=[CH:9][C:31](=[O:48])[O:51][CH2:17]7)[CH:28]([OH:46])[CH2:15][C:41]65[OH:50])[CH2:10]4)[O:55][CH:29]3[CH2:16][OH:42])[CH2:13][C:26]2=[O:44])[O:52]1 |
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