| Properties | Image |
|---|
| MNX_ID | MNXM1177471 |
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| reference | envipathM:...9f60450d323a |
| formula | C26H43O8 |
| global charge | -1 |
| mol weight | 483.622 |
| InChIKey | MQAKVRADGKQQBQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H44O8/c1-5-16-17-12-15(27)8-9-22(17,3)25(33)11-10-23(4)20(26(25,34)21(16)31)18(28)13-24(23,32)14(2)6-7-19(29)30/h14-18,20-21,27-28,31-34H,5-13H2,1-4H3,(H,29,30)/p-1 |
| SMILES | CCC1C2CC(O)CCC2(C)C2(O)CCC3(C)C(C(O)CC3(O)C(C)CCC(=O)[O-])C2(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C26H44O8/c1-5-16-17-12-15(27)8-9-22(17,3)25(33)11-10-23(4)20(26(25,34)21(16)31)18(28)13-24(23,32)14(2)6-7-19(29)30/h14-18,20-21,27-28,31-34H,5-13H2,1-4H3,(H,29,30)/t14?,15?,16?,17?,18?,20?,21?,22?,23?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][CH:16]1[CH:17]2[CH2:12][CH:15]([OH:27])[CH2:8][CH2:9][C:22]2([CH3:3])[C:25]2([OH:33])[CH2:11][CH2:10][C:23]3([CH3:4])[CH:20]([CH:18]([OH:28])[CH2:13][C:24]3([CH:14]([CH3:2])[CH2:6][CH2:7][C:19](=[O:29])[OH:30])[OH:32])[C:26]2([OH:34])[CH:21]1[OH:31] |
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