| Properties | Image |
|---|
| MNX_ID | MNXM1176813 |
 |
| reference | envipathM:...397d79f53e8d |
| formula | C26H43O8 |
| global charge | -1 |
| mol weight | 483.622 |
| InChIKey | YOGCPTGTAZULAF-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O8/c1-5-16-21(31)20-19-17(28)13-25(33,14(2)6-7-18(29)30)22(19,3)10-11-24(20,32)23(4)9-8-15(27)12-26(16,23)34/h14-17,19-21,27-28,31-34H,5-13H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1C(O)C2C3C(O)CC(O)(C(C)CCC(=O)[O-])C3(C)CCC2(O)C2(C)CCC(O)CC12O |
MNX internals
| InChI (mnx) | InChI=1/C26H44O8/c1-5-16-21(31)20-19-17(28)13-25(33,14(2)6-7-18(29)30)22(19,3)10-11-24(20,32)23(4)9-8-15(27)12-26(16,23)34/h14-17,19-21,27-28,31-34H,5-13H2,1-4H3,(H,29,30)/t14?,15?,16?,17?,19?,20?,21?,22?,23?,24?,25?,26? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:16]1[CH:21]([OH:31])[CH:20]2[CH:19]3[CH:17]([OH:28])[CH2:13][C:25]([CH:14]([CH3:2])[CH2:6][CH2:7][C:18](=[O:29])[OH:30])([OH:33])[C:22]3([CH3:3])[CH2:10][CH2:11][C:24]2([OH:32])[C:23]2([CH3:4])[CH2:9][CH2:8][CH:15]([OH:27])[CH2:12][C:26]12[OH:34] |
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