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(5Z,7E)-(3S)-22-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol

Properties

Image

Occurences in reactions

MNX_ID

MNXM35561

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₇H₄₃FO

charge

mass

402.32979

reference

chebi:173063

InChIKey

BULPIFATHWIAFY-BEDQNQFSSA-N

InChI

InChI=1S/C27H43FO/c1-18(2)8-15-26(28)20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(29)12-9-19(22)3/h10-11,18,20,23-26,29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24+,25-,26?,27+/m0/s1

SMILES

C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C(F)CCC(C)C

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173063 chebi:173063	(5Z,7E)-(3S)-22-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-3-luoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
lipidmaps:LMST03020202 lipidmapsM:LMST03020202	22-fluorovitamin D3 / 22-fluorocholecalciferol (5Z,7E)-(3S)-22-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol