| Properties | Image |
|---|
| MNX_ID | MNXM1182308 |
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| reference | envipathM:...bffc1ccfc019 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | URWOCSCXKHTUBU-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-5-26(33)18-12-14(27)8-10-25(18,4)17-9-11-24(3)15(6-7-16(24)19(17)22(26)30)13(2)20(28)21(29)23(31)32/h13-19,21-22,27,29-30,33H,5-12H2,1-4H3,(H,31,32)/p-1 |
| SMILES | CCC1(O)C(O)C2C3CCC(C(C)C(=O)C(O)C(=O)[O-])C3(C)CCC2C2(C)CCC(O)CC21 |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-5-26(33)18-12-14(27)8-10-25(18,4)17-9-11-24(3)15(6-7-16(24)19(17)22(26)30)13(2)20(28)21(29)23(31)32/h13-19,21-22,27,29-30,33H,5-12H2,1-4H3,(H,31,32)/t13?,14?,15?,16?,17?,18?,19?,21?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH2:5][C:26]1([OH:33])[CH:18]2[CH2:12][CH:14]([OH:27])[CH2:8][CH2:10][C:25]2([CH3:4])[CH:17]2[CH2:9][CH2:11][C:24]3([CH3:3])[CH:15]([CH:13]([CH3:2])[C:20]([CH:21]([C:23](=[O:31])[OH:32])[OH:29])=[O:28])[CH2:6][CH2:7][CH:16]3[CH:19]2[CH:22]1[OH:30] |
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