| Properties | Image |
|---|
| MNX_ID | MNXM1183528 |
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| reference | envipathM:...c98c6cadc83f |
| formula | C26H40O6 |
| global charge | -2 |
| mol weight | 448.6 |
| InChIKey | SMISCMHVQUSMFF-UHFFFAOYSA-L |
| InChI | InChI=1S/C26H42O6/c1-20(22(24(29)30)23(28)25(31)32)15-11-8-6-4-3-5-7-9-14-18-26(2,19-27)21-16-12-10-13-17-21/h10,12-13,16-17,20,22-23,27-28H,3-9,11,14-15,18-19H2,1-2H3,(H,29,30)(H,31,32)/p-2 |
| SMILES | CC(CCCCCCCCCCCC(C)(CO)C1=CC=CC=C1)C(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C26H42O6/c1-20(22(24(29)30)23(28)25(31)32)15-11-8-6-4-3-5-7-9-14-18-26(2,19-27)21-16-12-10-13-17-21/h10,12-13,16-17,20,22-23,27-28H,3-9,11,14-15,18-19H2,1-2H3,(H,29,30)(H,31,32)/t20?,22?,23?,26? |
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| SMILES (mnx) | [CH3:1][CH:20]([CH2:15][CH2:11][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][CH2:14][CH2:18][C:26]([CH3:2])([CH2:19][OH:27])[C:21]1=[CH:16][CH:12]=[CH:10][CH:13]=[CH:17]1)[CH:22]([CH:23]([C:25](=[O:31])[OH:32])[OH:28])[C:24](=[O:29])[OH:30] |
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