| Properties | Image |
|---|
| MNX_ID | MNXM1185297 |
 |
| reference | envipathM:...1ae76aa89026 |
| formula | C26H43O8 |
| global charge | -1 |
| mol weight | 483.622 |
| InChIKey | PRESHAFLIOZLPL-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O8/c1-5-14-19(28)18-15-6-7-17(25(4,33)21(30)20(29)22(31)32)23(15,2)10-9-16(18)24(3)11-8-13(27)12-26(14,24)34/h13-21,27-30,33-34H,5-12H2,1-4H3,(H,31,32)/p-1 |
| SMILES | CCC1C(O)C2C3CCC(C(C)(O)C(O)C(O)C(=O)[O-])C3(C)CCC2C2(C)CCC(O)CC12O |
MNX internals
| InChI (mnx) | InChI=1/C26H44O8/c1-5-14-19(28)18-15-6-7-17(25(4,33)21(30)20(29)22(31)32)23(15,2)10-9-16(18)24(3)11-8-13(27)12-26(14,24)34/h13-21,27-30,33-34H,5-12H2,1-4H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,20?,21?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:19]([OH:28])[CH:18]2[CH:15]3[CH2:6][CH2:7][CH:17]([C:25]([CH3:4])([CH:21]([CH:20]([C:22](=[O:31])[OH:32])[OH:29])[OH:30])[OH:33])[C:23]3([CH3:2])[CH2:10][CH2:9][CH:16]2[C:24]2([CH3:3])[CH2:11][CH2:8][CH:13]([OH:27])[CH2:12][C:26]12[OH:34] |
|