| Properties | Image |
|---|
| MNX_ID | MNXM1180414 |
 |
| reference | envipathM:...0370b9d5b61f |
| formula | C26H43O7 |
| global charge | -1 |
| mol weight | 467.623 |
| InChIKey | WJTXPAIKDDJCMC-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O7/c1-4-14-19-11-13(28)7-9-26(19,3)18-8-10-25(2)16(5-6-17(25)20(18)21(14)29)15(12-27)22(30)23(31)24(32)33/h13-23,27-31H,4-12H2,1-3H3,(H,32,33)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(CO)C(O)C(O)C(=O)[O-])C3(C)CCC2C2(C)CCC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H44O7/c1-4-14-19-11-13(28)7-9-26(19,3)18-8-10-25(2)16(5-6-17(25)20(18)21(14)29)15(12-27)22(30)23(31)24(32)33/h13-23,27-31H,4-12H2,1-3H3,(H,32,33)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH:14]1[CH:19]2[CH2:11][CH:13]([OH:28])[CH2:7][CH2:9][C:26]2([CH3:3])[CH:18]2[CH2:8][CH2:10][C:25]3([CH3:2])[CH:16]([CH:15]([CH2:12][OH:27])[CH:22]([CH:23]([C:24](=[O:32])[OH:33])[OH:31])[OH:30])[CH2:5][CH2:6][CH:17]3[CH:20]2[CH:21]1[OH:29] |
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