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

Properties

Image

Occurences in reactions

MNX_ID

MNXM30660

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

formula

C₃₀H₄₆O₄

charge

mass

470.33961

reference

lipidmapsM:LMST03020456

InChIKey

NYUYZDVVDJKJEF-ITAHSPAWSA-N

InChI

InChI=1S/C30H46O4/c1-6-30(34,7-2)17-9-11-27(32)21(4)25-14-15-26-22(10-8-16-29(25,26)5)12-13-23-18-24(31)19-28(33)20(23)3/h12-13,21,24-28,31-34H,3,6-8,10,14-19H2,1-2,4-5H3/b22-12+,23-13-/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](O)C#CCC(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:LMST03020456 lipidmapsM:LMST03020456	(22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epicholecalciferol (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol