| Properties | Image |
|---|
| MNX_ID | MNXM1189019 |
 |
| reference | envipathM:...420cbddf3036 |
| formula | C26H39O6 |
| global charge | -1 |
| mol weight | 447.592 |
| InChIKey | MJELOOBCHRJTAG-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H40O6/c1-5-17-22(30)21-19-8-7-18(15(2)6-9-20(28)29)23(19,3)12-13-25(21,31)24(4)11-10-16(27)14-26(17,24)32/h15,17-19,21,31-32H,5-14H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1C(=O)C2C3CCC(C(C)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(=O)CC12O |
MNX internals
| InChI (mnx) | InChI=1/C26H40O6/c1-5-17-22(30)21-19-8-7-18(15(2)6-9-20(28)29)23(19,3)12-13-25(21,31)24(4)11-10-16(27)14-26(17,24)32/h15,17-19,21,31-32H,5-14H2,1-4H3,(H,28,29)/t15?,17?,18?,19?,21?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:17]1[C:22](=[O:30])[CH:21]2[CH:19]3[CH2:8][CH2:7][CH:18]([CH:15]([CH3:2])[CH2:6][CH2:9][C:20](=[O:28])[OH:29])[C:23]3([CH3:3])[CH2:12][CH2:13][C:25]2([OH:31])[C:24]2([CH3:4])[CH2:11][CH2:10][C:16](=[O:27])[CH2:14][C:26]12[OH:32] |
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