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(25R)-26,26,26-trifluoro-1alpha,25-dihydroxyvitamin D3 / (25R)-26,26,26-trifluoro-1alpha,25-dihydroxycholecalciferol

PropertiesImage
MNX_IDMNXM30769 Image of MNXM30769
referencechebi:168701
formulaC27H41F3O3
global charge0
mol weight470.616
InChIKeyIMYJTUGOEIVGGR-BLHJQSBVSA-N
InChIInChI=1S/C27H41F3O3/c1-17(7-5-14-26(4,33)27(28,29)30)22-11-12-23-19(8-6-13-25(22,23)3)9-10-20-15-21(31)16-24(32)18(20)2/h9-10,17,21-24,31-33H,2,5-8,11-16H2,1,3-4H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,26-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCC[C@@](C)(O)C(F)(F)F)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C27H41F3O3/c1-17(7-5-14-26(4,33)27(28,29)30)22-11-12-23-19(8-6-13-25(22,23)3)9-10-20-15-21(31)16-24(32)18(20)2/h9-10,17,21-24,31-33H,2,5-8,11-16H2,1,3-4H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,26-/m1/s1 Image of MNXM30769
SMILES (mnx)[CH3:1][C@H:17]([CH2:7][CH2:5][CH2:14][C@:26]([CH3:4])([C:27]([F:28])([F:29])[F:30])[OH:33])[C@H:22]1[CH2:11][CH2:12][C@H:23]2/[C:19](=[CH:9]/[CH:10]=[C:20]3/[CH2:15][C@@H:21]([OH:31])[CH2:16][C@H:24]([OH:32])[C:18]3=[CH2:2])[CH2:8][CH2:6][CH2:13][C@:25]12[CH3:3]
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:168701
chebi:168701
IMYJTUGOEIVGGR-BLHJQSBVSA-N 		(25R)-26,26,26-trifluoro-1alpha,25-dihydroxyvitamin D3 / (25R)-26,26,26-trifluoro-1alpha,25-dihydroxycholecalciferol
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R,6R)-7,7,7-triluoro-6-hydroxy-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020132
lipidmapsM:LMST03020132
IMYJTUGOEIVGGR-BLHJQSBVSA-N 		(25R)-26,26,26-trifluoro-1alpha,25-dihydroxyvitamin D3
(25R)-26,26,26-trifluoro-1alpha,25-dihydroxycholecalciferol
(5Z,7E)-(1S,3R,25R)-26,26,26-trifluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol