| Properties | Image |
|---|
| MNX_ID | MNXM1192566 |
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| reference | envipathM:...baf3fd3baa3f |
| formula | C24H39O6 |
| global charge | -1 |
| mol weight | 423.57 |
| InChIKey | GUWQUFZQBAALOQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O6/c1-5-14-16-12-13(25)6-9-21(16,2)15-7-10-22(3)17(23(4,29)20(27)28)8-11-24(22,30)18(15)19(14)26/h13-19,25-26,29-30H,5-12H2,1-4H3,(H,27,28)/p-1 |
| SMILES | CCC1C(O)C2C(CCC3(C)C(C(C)(O)C(=O)[O-])CCC23O)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C24H40O6/c1-5-14-16-12-13(25)6-9-21(16,2)15-7-10-22(3)17(23(4,29)20(27)28)8-11-24(22,30)18(15)19(14)26/h13-19,25-26,29-30H,5-12H2,1-4H3,(H,27,28)/t13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,24? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:16]2[CH2:12][CH:13]([OH:25])[CH2:6][CH2:9][C:21]2([CH3:2])[CH:15]2[CH2:7][CH2:10][C:22]3([CH3:3])[CH:17]([C:23]([CH3:4])([C:20](=[O:27])[OH:28])[OH:29])[CH2:8][CH2:11][C:24]3([OH:30])[CH:18]2[CH:19]1[OH:26] |
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