| Properties | Image |
|---|
| MNX_ID | MNXM1131286 |
 |
| reference | lipidmapsM:LMPR0105050002 |
| formula | C24H38O3 |
| global charge | 0 |
| mol weight | 374.565 |
| InChIKey | ZZSQHMZBHOUTPQ-HDKSUPDESA-N |
| InChI | InChI=1S/C24H38O3/c1-16-14-20(25)18-9-6-10-21-23(5,15-19(16)18)12-13-24(21,27)17(2)8-7-11-22(3,4)26/h6,9,14,17-19,21,26-27H,7-8,10-13,15H2,1-5H3/t17-,18-,19+,21+,23+,24-/m0/s1 |
| SMILES | CC1=CC(=O)[C@H]2C=CC[C@@H]3[C@](C)(CC[C@]3(O)[C@@H](C)CCCC(C)(C)O)C[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C24H38O3/c1-16-14-20(25)18-9-6-10-21-23(5,15-19(16)18)12-13-24(21,27)17(2)8-7-11-22(3,4)26/h6,9,14,17-19,21,26-27H,7-8,10-13,15H2,1-5H3/b9-6?/t17-,18-,19+,21+,23+,24-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16]1=[CH:14][C:20](=[O:25])[C@H:18]2[CH:9]=[CH:6][CH2:10][C@@H:21]3[C@:23]([CH3:5])([CH2:12][CH2:13][C@@:24]3([C@@H:17]([CH3:2])[CH2:8][CH2:7][CH2:11][C:22]([CH3:3])([CH3:4])[OH:26])[OH:27])[CH2:15][C@H:19]12 |
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