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1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-thia-20-epivitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-thia-20-epicholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM33967

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

formula

C₂₉H₄₈O₃S

charge

mass

476.33242

reference

lipidmapsM:LMST03020424

InChIKey

GNEXJYOKNRBVDF-YBBVPDDNSA-N

InChI

InChI=1S/C29H48O3S/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)SCCCC(O)(CC)CC)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:LMST03020424 lipidmapsM:LMST03020424	1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-thia-20-epivitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-thia-20-epicholecalciferol (5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a-homo-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol