| Properties | Image |
|---|
| MNX_ID | MNXM1196657 |
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| reference | envipathM:...49f57f03bc13 |
| formula | C26H43O8 |
| global charge | -1 |
| mol weight | 483.622 |
| InChIKey | VMBGQTXXMNXAKP-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O8/c1-4-14-16-9-13(28)7-8-24(16,2)21-17(29)10-25(3)15(20(21)22(14)31)5-6-19(25)26(34,12-27)11-18(30)23(32)33/h13-22,27-31,34H,4-12H2,1-3H3,(H,32,33)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(O)(CO)CC(O)C(=O)[O-])C3(C)CC(O)C2C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H44O8/c1-4-14-16-9-13(28)7-8-24(16,2)21-17(29)10-25(3)15(20(21)22(14)31)5-6-19(25)26(34,12-27)11-18(30)23(32)33/h13-22,27-31,34H,4-12H2,1-3H3,(H,32,33)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH:14]1[CH:16]2[CH2:9][CH:13]([OH:28])[CH2:7][CH2:8][C:24]2([CH3:2])[CH:21]2[CH:17]([OH:29])[CH2:10][C:25]3([CH3:3])[CH:15]([CH2:5][CH2:6][CH:19]3[C:26]([CH2:11][CH:18]([C:23](=[O:32])[OH:33])[OH:30])([CH2:12][OH:27])[OH:34])[CH:20]2[CH:22]1[OH:31] |
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