| Properties | Image |
|---|
| MNX_ID | MNXM1180059 |
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| reference | envipathM:...09e4f7b22955 |
| formula | C26H41O7 |
| global charge | -1 |
| mol weight | 465.607 |
| InChIKey | PPOYDNCVIGZGAB-UHFFFAOYSA-M |
| InChI | InChI=1S/C26H42O7/c1-14(12-20(29)23(31)32)17-4-5-18-21-22(30)16(7-11-27)19-13-15(28)6-8-25(19,3)26(21,33)10-9-24(17,18)2/h11,14-22,28-30,33H,4-10,12-13H2,1-3H3,(H,31,32)/p-1 |
| SMILES | CC(CC(O)C(=O)[O-])C1CCC2C3C(O)C(CC=O)C4CC(O)CCC4(C)C3(O)CCC12C |
MNX internals
| InChI (mnx) | InChI=1/C26H42O7/c1-14(12-20(29)23(31)32)17-4-5-18-21-22(30)16(7-11-27)19-13-15(28)6-8-25(19,3)26(21,33)10-9-24(17,18)2/h11,14-22,28-30,33H,4-10,12-13H2,1-3H3,(H,31,32)/t14?,15?,16?,17?,18?,19?,20?,21?,22?,24?,25?,26? |
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| SMILES (mnx) | [CH3:1][CH:14]([CH2:12][CH:20]([C:23](=[O:31])[OH:32])[OH:29])[CH:17]1[CH2:4][CH2:5][CH:18]2[CH:21]3[CH:22]([OH:30])[CH:16]([CH2:7][CH:11]=[O:27])[CH:19]4[CH2:13][CH:15]([OH:28])[CH2:6][CH2:8][C:25]4([CH3:3])[C:26]3([OH:33])[CH2:10][CH2:9][C:24]12[CH3:2] |
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