| Properties | Image |
|---|
| MNX_ID | MNXM50645 |
 |
| reference | keggD:D03813 |
| formula | C27H36F2O5 |
| global charge | 0 |
| mol weight | 478.576 |
| InChIKey | UWGRWFCLGQWKPR-GSTUPEFVSA-N |
| InChI | InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]1[CH2:9][C@H:16]2[C@@H:17]3[CH2:11][C@H:19]([F:28])[C:18]4=[CH:10][C:15](=[O:30])[CH:7]=[CH:8][C@:26]4([CH3:6])[C@@:27]3([F:29])[C@@H:21]([OH:32])[CH2:12][C@:25]2([CH3:5])[C@H:22]1[C:20]([CH2:13][O:34][C:23]([C:24]([CH3:2])([CH3:3])[CH3:4])=[O:33])=[O:31] |
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