| Properties | Image |
|---|
| MNX_ID | MNXM1184415 |
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| reference | envipathM:...c4c3380e467e |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | NCIMTOFGGBDJMY-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-4-16-18-11-15(28)7-9-24(18,2)21-19(29)12-25(3)17(14(13-27)5-6-20(30)31)8-10-26(25,33)22(21)23(16)32/h14,16-19,21-23,27,29,32-33H,4-13H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CCC1C(O)C2C(C(O)CC3(C)C(C(CO)CCC(=O)[O-])CCC23O)C2(C)CCC(=O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-4-16-18-11-15(28)7-9-24(18,2)21-19(29)12-25(3)17(14(13-27)5-6-20(30)31)8-10-26(25,33)22(21)23(16)32/h14,16-19,21-23,27,29,32-33H,4-13H2,1-3H3,(H,30,31)/t14?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH:16]1[CH:18]2[CH2:11][C:15](=[O:28])[CH2:7][CH2:9][C:24]2([CH3:2])[CH:21]2[CH:19]([OH:29])[CH2:12][C:25]3([CH3:3])[CH:17]([CH:14]([CH2:5][CH2:6][C:20](=[O:30])[OH:31])[CH2:13][OH:27])[CH2:8][CH2:10][C:26]3([OH:33])[CH:22]2[CH:23]1[OH:32] |
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