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(22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-20-epicholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30666

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

formula

C₃₀H₄₆O₄

charge

mass

470.33961

reference

lipidmapsM:LMST03020453

InChIKey

GUSFLJALBCPIGE-ULRJMMBRSA-N

InChI

InChI=1S/C30H46O4/c1-7-30(33,8-2)17-15-28(34-6)21(4)25-13-14-26-22(10-9-16-29(25,26)5)11-12-23-18-24(31)19-27(32)20(23)3/h11-12,21,24-28,31-33H,3,7-10,13-14,16,18-19H2,1-2,4-6H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-,29-/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)[C@@H](C#CC(O)(CC)CC)OC)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:LMST03020453 lipidmapsM:LMST03020453	(22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3 / (22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-20-epicholecalciferol (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-methoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol