| Properties | Image |
|---|
| MNX_ID | MNXM1138612 |
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| reference | envipathM:...bbfcfaa5d763 |
| formula | C26H41O6 |
| global charge | -1 |
| mol weight | 449.608 |
| InChIKey | OPKSSYFBMXUOLA-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O6/c1-6-17-22(30)21-18(24(4,23(17)31)12-9-16(3)27)10-13-25(5)19(21)11-14-26(25,32)15(2)7-8-20(28)29/h15,17-19,21-22,30,32H,6-14H2,1-5H3,(H,28,29)/p-1 |
| SMILES | CCC1C(=O)C(C)(CCC(C)=O)C2CCC3(C)C(CCC3(O)C(C)CCC(=O)[O-])C2C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H42O6/c1-6-17-22(30)21-18(24(4,23(17)31)12-9-16(3)27)10-13-25(5)19(21)11-14-26(25,32)15(2)7-8-20(28)29/h15,17-19,21-22,30,32H,6-14H2,1-5H3,(H,28,29)/t15?,17?,18?,19?,21?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:6][CH:17]1[CH:22]([OH:30])[CH:21]2[CH:18]([CH2:10][CH2:13][C:25]3([CH3:5])[CH:19]2[CH2:11][CH2:14][C:26]3([CH:15]([CH3:2])[CH2:7][CH2:8][C:20](=[O:28])[OH:29])[OH:32])[C:24]([CH3:4])([CH2:12][CH2:9][C:16]([CH3:3])=[O:27])[C:23]1=[O:31] |
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