| Properties | Image |
|---|
| MNX_ID | MNXM1180065 |
 |
| reference | envipathM:...88e07f4f9c82 |
| formula | C24H39O7 |
| global charge | -1 |
| mol weight | 439.569 |
| InChIKey | FRSNJKPQEBDOCT-UHFFFAOYSA-M |
| InChI | InChI=1S/C24H40O7/c1-4-23(30)17-11-13(26)7-8-22(17,3)24(31)10-9-21(2)15(14(12-25)20(28)29)5-6-16(21)18(24)19(23)27/h13-19,25-27,30-31H,4-12H2,1-3H3,(H,28,29)/p-1 |
| SMILES | CCC1(O)C(O)C2C3CCC(C(CO)C(=O)[O-])C3(C)CCC2(O)C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C24H40O7/c1-4-23(30)17-11-13(26)7-8-22(17,3)24(31)10-9-21(2)15(14(12-25)20(28)29)5-6-16(21)18(24)19(23)27/h13-19,25-27,30-31H,4-12H2,1-3H3,(H,28,29)/t13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,24? |
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| SMILES (mnx) | [CH3:1][CH2:4][C:23]1([OH:30])[CH:17]2[CH2:11][CH:13]([OH:26])[CH2:7][CH2:8][C:22]2([CH3:3])[C:24]2([OH:31])[CH2:10][CH2:9][C:21]3([CH3:2])[CH:15]([CH:14]([CH2:12][OH:25])[C:20](=[O:28])[OH:29])[CH2:5][CH2:6][CH:16]3[CH:18]2[CH:19]1[OH:27] |
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