| Properties | Image |
|---|
| MNX_ID | MNXM1176163 |
 |
| reference | envipathM:...e2056a20355e |
| formula | C26H43O8 |
| global charge | -1 |
| mol weight | 483.622 |
| InChIKey | QTOAQXYRDYSBHU-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O8/c1-5-14-15-8-13(27)9-18(29)24(15,3)16-10-19(30)25(4)21(12(2)6-7-20(31)32)17(28)11-26(25,34)22(16)23(14)33/h12-19,21-23,27-30,33-34H,5-11H2,1-4H3,(H,31,32)/p-1 |
| SMILES | CCC1C(O)C2C(CC(O)C3(C)C(C(C)CCC(=O)[O-])C(O)CC23O)C2(C)C(O)CC(O)CC12 |
MNX internals
| InChI (mnx) | InChI=1/C26H44O8/c1-5-14-15-8-13(27)9-18(29)24(15,3)16-10-19(30)25(4)21(12(2)6-7-20(31)32)17(28)11-26(25,34)22(16)23(14)33/h12-19,21-23,27-30,33-34H,5-11H2,1-4H3,(H,31,32)/t12?,13?,14?,15?,16?,17?,18?,19?,21?,22?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:14]1[CH:15]2[CH2:8][CH:13]([OH:27])[CH2:9][CH:18]([OH:29])[C:24]2([CH3:3])[CH:16]2[CH2:10][CH:19]([OH:30])[C:25]3([CH3:4])[CH:21]([CH:12]([CH3:2])[CH2:6][CH2:7][C:20](=[O:31])[OH:32])[CH:17]([OH:28])[CH2:11][C:26]3([OH:34])[CH:22]2[CH:23]1[OH:33] |
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