| Properties | Image |
|---|
| MNX_ID | MNXM1131272 |
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| reference | lipidmapsM:LMPR0104150011 |
| formula | C20H28O4 |
| global charge | 0 |
| mol weight | 332.44 |
| InChIKey | ZFHYMONQRAXFJF-XCBBIKKWSA-N |
| InChI | InChI=1S/C20H28O4/c1-10-11-7-14-19(4)9-12(21)17(24)18(2,3)13(19)5-6-20(14,16(10)23)15(22)8-11/h11,13-14,16-17,23-24H,1,5-9H2,2-4H3/t11-,13-,14+,16+,17-,19-,20+/m1/s1 |
| SMILES | C=C1[C@H]2CC(=O)[C@@]3(CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@@]4(C)[C@@H]3C2)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H28O4/c1-10-11-7-14-19(4)9-12(21)17(24)18(2,3)13(19)5-6-20(14,16(10)23)15(22)8-11/h11,13-14,16-17,23-24H,1,5-9H2,2-4H3/t11-,13-,14+,16?,17-,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:10]1[C@@H:11]2[CH2:7][C@H:14]3[C@:19]4([CH3:4])[CH2:9][C:12](=[O:21])[C@@H:17]([OH:24])[C:18]([CH3:2])([CH3:3])[C@H:13]4[CH2:5][CH2:6][C@:20]3([C:15](=[O:22])[CH2:8]2)[C@@H:16]1[OH:23] |
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