| Properties | Image |
|---|
| MNX_ID | MNXM1183164 |
 |
| reference | envipathM:...aac6f642f2fe |
| formula | C26H43O8 |
| global charge | -1 |
| mol weight | 483.622 |
| InChIKey | GCYQLKPECDDIRT-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O8/c1-13(4-5-20(31)32)21-18(29)11-17-22-23(33)15(7-9-27)16-10-14(28)6-8-25(16,3)26(22,34)19(30)12-24(17,21)2/h13-19,21-23,27-30,33-34H,4-12H2,1-3H3,(H,31,32)/p-1 |
| SMILES | CC(CCC(=O)[O-])C1C(O)CC2C3C(O)C(CCO)C4CC(O)CCC4(C)C3(O)C(O)CC21C |
MNX internals
| InChI (mnx) | InChI=1/C26H44O8/c1-13(4-5-20(31)32)21-18(29)11-17-22-23(33)15(7-9-27)16-10-14(28)6-8-25(16,3)26(22,34)19(30)12-24(17,21)2/h13-19,21-23,27-30,33-34H,4-12H2,1-3H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH:13]([CH2:4][CH2:5][C:20](=[O:31])[OH:32])[CH:21]1[CH:18]([OH:29])[CH2:11][CH:17]2[CH:22]3[CH:23]([OH:33])[CH:15]([CH2:7][CH2:9][OH:27])[CH:16]4[CH2:10][CH:14]([OH:28])[CH2:6][CH2:8][C:25]4([CH3:3])[C:26]3([OH:34])[CH:19]([OH:30])[CH2:12][C:24]21[CH3:2] |
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