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(20S)-1alpha,25-dihydroxy-20-ethoxy-26,27-dimethyl-24a-homovitamin D3 / (20S)-1alpha,25-dihydroxy-20-ethoxy-26,27-dimethyl-24a-homocholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30576

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

formula

C₃₂H₅₄O₄

charge

mass

502.40221

reference

lipidmapsM:LMST03020525

InChIKey

BMSWFQGRAYAOJE-VJOAKPCZSA-N

InChI

InChI=1S/C32H54O4/c1-7-32(35,8-2)20-11-10-19-31(6,36-9-3)29-17-16-27-24(13-12-18-30(27,29)5)14-15-25-21-26(33)22-28(34)23(25)4/h14-15,26-29,33-35H,4,7-13,16-22H2,1-3,5-6H3/b24-14+,25-15-/t26-,27+,28+,29+,30+,31+/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@](C)(CCCCC(O)(CC)CC)OCC)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:LMST03020525 lipidmapsM:LMST03020525	(20S)-1alpha,25-dihydroxy-20-ethoxy-26,27-dimethyl-24a-homovitamin D3 / (20S)-1alpha,25-dihydroxy-20-ethoxy-26,27-dimethyl-24a-homocholecalciferol (5Z,7E)-(1S,3R,20S)-20-ethoxy-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol