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(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3 / (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30437

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

formula

C₃₁H₄₆O₃

charge

mass

466.3447

reference

lipidmapsM:LMST03020480

InChIKey

ZHZPSISSWOOYJO-SQSVGMKISA-N

InChI

InChI=1S/C31H46O3/c1-6-31(34,7-2)19-10-8-9-12-22(3)27-16-17-28-24(13-11-18-30(27,28)5)14-15-25-20-26(32)21-29(33)23(25)4/h14-15,26,28-29,32-34H,4,6-8,10-11,13,16-21H2,1-3,5H3/b24-14+,25-15-,27-22+/t26-,28+,29+,30-/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@]3(C)/C(=C(\C)C#CCCCC(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:LMST03020480 lipidmapsM:LMST03020480	(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3 / (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol