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(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / (23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30711

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

formula

C₂₇H₄₀O₂

charge

mass

396.30283

reference

chebi:169835

InChIKey

BHWGGPXSQWTJKO-AUIFTPRISA-N

InChI

InChI=1S/C27H40O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h6,11-12,14,16,20,23,25,28-29H,1,7-10,13,15,17-18H2,2-5H3/b16-6-,21-11+,22-12-/t20-,23+,25+,27-/m1/s1

SMILES

C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@H](C)C/C=C\C(C)(C)O)=CC[C@@H]12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169835 chebi:169835	(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / (23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-1-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
lipidmaps:LMST03020101 lipidmapsM:LMST03020101	(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3 / (23Z)-25-hydroxy-16,17,23,24-tetradehydrocholecalciferol (5Z,7E,23Z)-(3S)-9,10-seco-5,7,10(19),16,23-cholestapentaene-3,25-diol