| Properties | Image |
|---|
| MNX_ID | MNXM1175055 |
 |
| reference | envipathM:...404bf83930db |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | AUUKVKAGWCDMPH-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-5-14-16-10-13(27)8-9-24(16,2)21-17(28)11-25(3)15(20(21)22(14)30)6-7-19(25)26(4,33)12-18(29)23(31)32/h13-21,27-29,33H,5-12H2,1-4H3,(H,31,32)/p-1 |
| SMILES | CCC1C(=O)C2C3CCC(C(C)(O)CC(O)C(=O)[O-])C3(C)CC(O)C2C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-5-14-16-10-13(27)8-9-24(16,2)21-17(28)11-25(3)15(20(21)22(14)30)6-7-19(25)26(4,33)12-18(29)23(31)32/h13-21,27-29,33H,5-12H2,1-4H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:16]2[CH2:10][CH:13]([OH:27])[CH2:8][CH2:9][C:24]2([CH3:2])[CH:21]2[CH:17]([OH:28])[CH2:11][C:25]3([CH3:3])[CH:15]([CH2:6][CH2:7][CH:19]3[C:26]([CH3:4])([CH2:12][CH:18]([C:23](=[O:31])[OH:32])[OH:29])[OH:33])[CH:20]2[C:22]1=[O:30] |
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