TEJ

(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one


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Chemical Component Summary

Name(1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one
Synonyms(23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone
Identifiers(5S)-5-[(2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylidene-oxolan-2-one
FormulaC27 H38 O4
Molecular Weight426.588
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChIInChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1
InChIKeySAODSJHDCZTVAT-HPNZEMCUSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count7
Bond Count72
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 45479714