| Properties | Image |
|---|
| MNX_ID | MNXM1171561 |
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| reference | envipathM:...77a5e35886b8 |
| formula | C26H41O6 |
| global charge | -1 |
| mol weight | 449.608 |
| InChIKey | XJIHOHNNEATQEJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O6/c1-14(4-7-22(30)31)17-5-6-18-23-20(13-21(29)26(17,18)3)25(2)10-8-15(28)12-19(25)16(9-11-27)24(23)32/h11,14-21,23-24,28-29,32H,4-10,12-13H2,1-3H3,(H,30,31)/p-1 |
| SMILES | CC(CCC(=O)[O-])C1CCC2C3C(O)C(CC=O)C4CC(O)CCC4(C)C3CC(O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C26H42O6/c1-14(4-7-22(30)31)17-5-6-18-23-20(13-21(29)26(17,18)3)25(2)10-8-15(28)12-19(25)16(9-11-27)24(23)32/h11,14-21,23-24,28-29,32H,4-10,12-13H2,1-3H3,(H,30,31)/t14?,15?,16?,17?,18?,19?,20?,21?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH2:4][CH2:7][C:22](=[O:30])[OH:31])[CH:17]1[CH2:5][CH2:6][CH:18]2[CH:23]3[CH:20]([CH2:13][CH:21]([OH:29])[C:26]12[CH3:3])[C:25]1([CH3:2])[CH2:10][CH2:8][CH:15]([OH:28])[CH2:12][CH:19]1[CH:16]([CH2:9][CH:11]=[O:27])[CH:24]3[OH:32] |
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