| Properties | Image |
|---|
| MNX_ID | MNXM1179366 |
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| reference | envipathM:...02f1012ff1b8 |
| formula | C24H39O7 |
| global charge | -1 |
| mol weight | 439.569 |
| InChIKey | FPDOXURGSASTCX-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O7/c1-5-14-16-10-13(25)8-9-22(16,4)24(31)18(26)11-21(3)15(12(2)20(28)29)6-7-17(21)23(24,30)19(14)27/h12-19,25-27,30-31H,5-11H2,1-4H3,(H,28,29)/p-1 |
| SMILES | CCC1C2CC(O)CCC2(C)C2(O)C(O)CC3(C)C(C(C)C(=O)[O-])CCC3C2(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C24H40O7/c1-5-14-16-10-13(25)8-9-22(16,4)24(31)18(26)11-21(3)15(12(2)20(28)29)6-7-17(21)23(24,30)19(14)27/h12-19,25-27,30-31H,5-11H2,1-4H3,(H,28,29)/t12?,13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,24? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:16]2[CH2:10][CH:13]([OH:25])[CH2:8][CH2:9][C:22]2([CH3:4])[C:24]2([OH:31])[CH:18]([OH:26])[CH2:11][C:21]3([CH3:3])[CH:15]([CH:12]([CH3:2])[C:20](=[O:28])[OH:29])[CH2:6][CH2:7][CH:17]3[C:23]2([OH:30])[CH:19]1[OH:27] |
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