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(2S,3S,4S)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone

PropertiesImage
MNX_IDMNXM30978 Image of MNXM30978
referencechebi:48415
formulaC18H26F6O3
global charge0
mol weight404.391
InChIKeyIEAITYAVTPYWHR-HRYNPVEISA-N
InChIInChI=1S/C18H26F6O3/c1-10(2)6-5-7-11(3)14-12(8-9-13(25)15(14)27-4)16(26,17(19,20)21)18(22,23)24/h7,10,12,14-15,26H,5-6,8-9H2,1-4H3/b11-7+/t12-,14+,15+/m0/s1
SMILESCO[C@@H]1C(=O)CC[C@H](C(O)(C(F)(F)F)C(F)(F)F)[C@H]1/C(C)=C/CCC(C)C
MNX internals
InChI (mnx)InChI=1/C18H26F6O3/c1-10(2)6-5-7-11(3)14-12(8-9-13(25)15(14)27-4)16(26,17(19,20)21)18(22,23)24/h7,10,12,14-15,26H,5-6,8-9H2,1-4H3/b11-7+/t12-,14+,15+/m0/s1 Image of MNXM30978
SMILES (mnx)[CH3:1][CH:10]([CH3:2])[CH2:6][CH2:5]/[CH:7]=[C:11](\[CH3:3])[C@@H:14]1[C@@H:12]([C:16]([C:17]([F:19])([F:20])[F:21])([C:18]([F:22])([F:23])[F:24])[OH:26])[CH2:8][CH2:9][C:13](=[O:25])[C@H:15]1[O:27][CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:48415
chebi:48415
IEAITYAVTPYWHR-HRYNPVEISA-N 		(2S,3S,4S)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone
2(S)-3(S)-4(S)-3-(1,5-Dimethyl-hex-1-enyl)-2-methoxy-4-(2,2,2-trifluoro-1-hydroxy-1- trifluoromethyl-ethyl)-cyclohexanone