| Properties | Image |
|---|
| MNX_ID | MNXM104097 |
 |
| reference | chebi:67420 |
| formula | C28H52O7 |
| global charge | 0 |
| mol weight | 500.717 |
| InChIKey | CVJWXRNBYKUGQI-AIFRIFMOSA-N |
| InChI | InChI=1S/C28H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)18-23(30)19-24(31)20-25(32)21-27-26(33)16-17-28(34)35-27/h16-17,22-27,29-33H,2-15,18-21H2,1H3/t22-,23+,24+,25+,26+,27+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)18-23(30)19-24(31)20-25(32)21-27-26(33)16-17-28(34)35-27/h16-17,22-27,29-33H,2-15,18-21H2,1H3/t22-,23+,24+,25+,26+,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@H:22]([CH2:18][C@@H:23]([CH2:19][C@@H:24]([CH2:20][C@@H:25]([CH2:21][C@H:27]1[C@@H:26]([OH:33])[CH:16]=[CH:17][C:28](=[O:34])[O:35]1)[OH:32])[OH:31])[OH:30])[OH:29] |
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