| Properties | Image |
|---|
| MNX_ID | MNXM1170068 |
 |
| reference | envipathM:...5285cec09cea |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | PFJJQJIUIVORCJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-4-16-18-13-15(28)7-9-24(18,3)26(33)12-11-23(2)17(21(26)22(16)31)5-6-19(23)25(32,14-27)10-8-20(29)30/h14-19,21-22,28,31-33H,4-13H2,1-3H3,(H,29,30)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(O)(C=O)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-4-16-18-13-15(28)7-9-24(18,3)26(33)12-11-23(2)17(21(26)22(16)31)5-6-19(23)25(32,14-27)10-8-20(29)30/h14-19,21-22,28,31-33H,4-13H2,1-3H3,(H,29,30)/t15?,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[CH2:13][CH:15]([OH:28])[CH2:7][CH2:9][C:24]2([CH3:3])[C:26]2([OH:33])[CH2:12][CH2:11][C:23]3([CH3:2])[CH:17]([CH2:5][CH2:6][CH:19]3[C:25]([CH2:10][CH2:8][C:20](=[O:29])[OH:30])([CH:14]=[O:27])[OH:32])[CH:21]2[CH:22]1[OH:31] |
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