| Properties | Image |
|---|
| MNX_ID | MNXM1193920 |
 |
| reference | envipathM:...7b943ef77191 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | LYRCABGOIGRUJO-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-13(4-5-20(31)32)16-11-18(29)22-21-23(19(30)12-26(16,22)3)25(2)8-6-14(28)10-17(25)15(7-9-27)24(21)33/h13-19,21-23,27-30H,4-12H2,1-3H3,(H,31,32)/p-1 |
| SMILES | CC(CCC(=O)[O-])C1CC(O)C2C3C(=O)C(CCO)C4CC(O)CCC4(C)C3C(O)CC12C |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-13(4-5-20(31)32)16-11-18(29)22-21-23(19(30)12-26(16,22)3)25(2)8-6-14(28)10-17(25)15(7-9-27)24(21)33/h13-19,21-23,27-30H,4-12H2,1-3H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH:13]([CH2:4][CH2:5][C:20](=[O:31])[OH:32])[CH:16]1[CH2:11][CH:18]([OH:29])[CH:22]2[CH:21]3[CH:23]([CH:19]([OH:30])[CH2:12][C:26]12[CH3:3])[C:25]1([CH3:2])[CH2:8][CH2:6][CH:14]([OH:28])[CH2:10][CH:17]1[CH:15]([CH2:7][CH2:9][OH:27])[C:24]3=[O:33] |
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