| Properties | Image |
|---|
| MNX_ID | MNXM1182873 |
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| reference | envipathM:...8b9c26e701c7 |
| formula | C26H41O6 |
| global charge | -1 |
| mol weight | 449.608 |
| InChIKey | OPRVQASARREUNL-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O6/c1-5-15-18-14-32-21(29)10-12-24(18,2)17-8-11-25(3)16(22(17)23(15)30)6-7-19(25)26(4,31)13-9-20(27)28/h15-19,22-23,30-31H,5-14H2,1-4H3,(H,27,28)/p-1 |
| SMILES | CCC1C(O)C2C(CCC3(C)C2CCC3C(C)(O)CCC(=O)[O-])C2(C)CCC(=O)OCC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O6/c1-5-15-18-14-32-21(29)10-12-24(18,2)17-8-11-25(3)16(22(17)23(15)30)6-7-19(25)26(4,31)13-9-20(27)28/h15-19,22-23,30-31H,5-14H2,1-4H3,(H,27,28)/t15?,16?,17?,18?,19?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:15]1[CH:18]2[CH2:14][O:32][C:21](=[O:29])[CH2:10][CH2:12][C:24]2([CH3:2])[CH:17]2[CH2:8][CH2:11][C:25]3([CH3:3])[CH:16]([CH2:6][CH2:7][CH:19]3[C:26]([CH3:4])([CH2:13][CH2:9][C:20](=[O:27])[OH:28])[OH:31])[CH:22]2[CH:23]1[OH:30] |
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