| Properties | Image |
|---|
| MNX_ID | MNXM1190906 |
 |
| reference | envipathM:...7ffdcf17f8eb |
| formula | C28H46O6 |
| global charge | 0 |
| mol weight | 478.67 |
| InChIKey | ZPNYKGBGIOPHDJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H46O6/c1-5-9-11-15-22(14-7-3)20-33-26(30)23-16-12-13-17-24(23)27(31)34-21-28(32,19-8-4)25(29)18-10-6-2/h12-13,16-17,22,25,29,32H,5-11,14-15,18-21H2,1-4H3 |
| SMILES | CCCCCC(CCC)COC(=O)C1=C(C(=O)OCC(O)(CCC)C(O)CCCC)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H46O6/c1-5-9-11-15-22(14-7-3)20-33-26(30)23-16-12-13-17-24(23)27(31)34-21-28(32,19-8-4)25(29)18-10-6-2/h12-13,16-17,22,25,29,32H,5-11,14-15,18-21H2,1-4H3/t22?,25?,28? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:11][CH2:15][CH:22]([CH2:14][CH2:7][CH3:3])[CH2:20][O:33][C:26]([C:23]1=[CH:16][CH:12]=[CH:13][CH:17]=[C:24]1[C:27](=[O:31])[O:34][CH2:21][C:28]([CH2:19][CH2:8][CH3:4])([CH:25]([CH2:18][CH2:10][CH2:6][CH3:2])[OH:29])[OH:32])=[O:30] |
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