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(20S)-20-cyclopropyl-1alpha,25-dihydroxy-16,17-didehydro-21-norvitamin D3 / (20S)-20-cyclopropyl-1alpha,25-dihydroxy-16,17-didehydro-21-norcholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30586

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

formula

C₂₉H₄₄O₃

charge

mass

440.32905

reference

lipidmapsM:LMST03020583

InChIKey

NKJZKFRFSNXWSK-MLFNEEQLSA-N

InChI

InChI=1S/C29H44O3/c1-19-22(17-23(30)18-27(19)31)12-11-21-7-5-16-29(4)25(21)13-14-26(29)24(20-9-10-20)8-6-15-28(2,3)32/h11-12,14,20,23-25,27,30-32H,1,5-10,13,15-18H2,2-4H3/b21-11+,22-12-/t23-,24+,25+,27+,29+/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](CCCC(C)(C)O)C4CC4)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMST03020583 lipidmapsM:LMST03020583	(20S)-20-cyclopropyl-1alpha,25-dihydroxy-16,17-didehydro-21-norvitamin D3 / (20S)-20-cyclopropyl-1alpha,25-dihydroxy-16,17-didehydro-21-norcholecalciferol (5Z,7E,)-(1S,3R,20S)-20-cyclopropyl-21-nor-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol