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

Properties

Image

Occurences in reactions

MNX_ID

MNXM30653

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

formula

C₂₈H₄₂O₄

charge

mass

442.30831

reference

lipidmapsM:LMST03020315

InChIKey

UKQNCFNXBITWKF-JUOPNIRESA-N

InChI

InChI=1S/C28H42O4/c1-18-21(16-22(29)17-26(18)31)11-10-20-8-6-15-28(5)23(12-13-24(20)28)19(2)25(30)9-7-14-27(3,4)32/h10-11,19,22-26,29-32H,1,6,8,12-17H2,2-5H3/b20-10+,21-11-/t19-,22-,23-,24+,25-,26+,28-/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(C)(C)O)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:LMST03020315 lipidmapsM:LMST03020315	(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol (5Z,7E)-(1S,3R,20R,22S)-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol