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24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol

PropertiesImage
MNX_IDMNXM35632 Image of MNXM35632
referencechebi:230360
formulaC27H43FO2
global charge0
mol weight418.637
InChIKeyQNXAFTJRYUGRPP-SRLFHJKTSA-N
InChIInChI=1S/C27H43FO2/c1-18-8-12-22(29)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(28)26(3,4)30/h10-11,19,22-25,29-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25?,27-/m1/s1
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCC(F)C(C)(C)O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C27H43FO2/c1-18-8-12-22(29)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(28)26(3,4)30/h10-11,19,22-25,29-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25?,27-/m1/s1 Image of MNXM35632
SMILES (mnx)[CH2:1]=[C:18]1[CH2:8][CH2:12][C@H:22]([OH:29])[CH2:17]/[C:21]1=[CH:11]/[CH:10]=[C:20]1\[CH2:7][CH2:6][CH2:16][C@:27]2([CH3:5])[C@@H:23]([C@H:19]([CH3:2])[CH2:9][CH2:15][CH:25]([C:26]([CH3:3])([CH3:4])[OH:30])[F:28])[CH2:13][CH2:14][C@@H:24]12
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:230360
chebi:230360
QNXAFTJRYUGRPP-SRLFHJKTSA-N 		24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5-luoro-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

lipidmaps:LMST03020210
lipidmapsM:LMST03020210
QNXAFTJRYUGRPP-SRLFHJKTSA-N 		24-fluoro-25-hydroxyvitamin D3
(5Z,7E)-(3S)-24-fluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
24-fluoro-25-hydroxycholecalciferol