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(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrocholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30439

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

formula

C₂₉H₄₂O₃

charge

mass

438.3134

reference

chebi:168224

InChIKey

UENVSUKLKMJWQW-IGELHMHJSA-N

InChI

InChI=1S/C29H42O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h12-13,24,26-27,30-32H,4,6-7,9,11,14-19H2,1-3,5H3/b22-12+,23-13-,25-20-/t24-,26+,27+,28-/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@]3(C)/C(=C(/C)C#CCC(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
CHEBI:168224 chebi:168224	(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrocholecalciferol (1R,3S,5Z)-5-[(2E)-2-[(1Z,3aS,7aS)-1-(6-ethyl-6-hydroxyoct-3-yn-2-ylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
lipidmaps:LMST03020391 lipidmapsM:LMST03020391	(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrocholecalciferol (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol