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(22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomovitamin D3 / (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomocholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30655

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

formula

C₃₁H₄₈O₄

charge

mass

484.35526

reference

lipidmapsM:LMST03020489

InChIKey

BXFICNZRUGMDBE-SDIZQGAISA-N

InChI

InChI=1S/C31H48O4/c1-6-31(35,7-2)18-9-8-12-28(33)22(4)26-15-16-27-23(11-10-17-30(26,27)5)13-14-24-19-25(32)20-29(34)21(24)3/h13-14,22,25-29,32-35H,3,6-7,9-11,15-20H2,1-2,4-5H3/b23-13+,24-14-/t22-,25+,26+,27-,28+,29-,30+/m0/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](O)C#CCCC(O)(CC)CC)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:LMST03020489 lipidmapsM:LMST03020489	(22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomovitamin D3 / (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomocholecalciferol (5Z,7E)-(1S,3R,22S)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol