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2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3

PropertiesImage
MNX_IDMNXM35816 Image of MNXM35816
referencechebi:184739
formulaC25H41FO4
global charge0
mol weight424.597
InChIKeyIWGFRYMZFYVCFY-XQHPLAEJSA-N
InChIInChI=1S/C25H41FO4/c1-16(30-13-12-24(2,3)29)19-9-10-20-18(6-5-11-25(19,20)4)8-7-17-14-21(27)23(26)22(28)15-17/h7-8,16,19-23,27-29H,5-6,9-15H2,1-4H3/b17-7-,18-8+/t16-,19+,20-,21+,22+,23?,25+/m0/s1
SMILESC[C@H](OCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(F)[C@H](O)C3)CCC[C@]12C
MNX internals
InChI (mnx)InChI=1/C25H41FO4/c1-16(30-13-12-24(2,3)29)19-9-10-20-18(6-5-11-25(19,20)4)8-7-17-14-21(27)23(26)22(28)15-17/h7-8,16,19-23,27-29H,5-6,9-15H2,1-4H3/b17-7-,18-8+/t16-,19+,20-,21+,22+,23?,25+/m0/s1 Image of MNXM35816
SMILES (mnx)[CH3:1][C@@H:16]([C@H:19]1[CH2:9][CH2:10][C@H:20]2/[C:18](=[CH:8]/[CH:7]=[C:17]3/[CH2:14][C@H:21]([OH:27])[CH:23]([F:26])[C@@H:22]([OH:28])[CH2:15]3)[CH2:6][CH2:5][CH2:11][C@:25]12[CH3:4])[O:30][CH2:13][CH2:12][C:24]([CH3:2])([CH3:3])[OH:29]
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:184739
chebi:184739
IWGFRYMZFYVCFY-XQHPLAEJSA-N 		2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3
(1R,3R)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-luorocyclohexane-1,3-diol

lipidmaps:LMST03020616
lipidmapsM:LMST03020616
IWGFRYMZFYVCFY-AQDMPPKVSA-N 		2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3
(5E,7E)-(1R,2S,3R)-2-fluoro-22-oxa-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol