skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

(23r)-1alpha-hydroxy-25,27-didehydrovitamin d3 26,23-lactone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H38O4

inchi

  • InChI=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-/m1/s1

inchikey

  • SAODSJHDCZTVAT-JXJLEVNFSA-N

mass

  • 426.597

monoisotopicmass

  • 426.27701

smiles

  • O1[C@H](C[C@H]([C@@]2([C@@]3([C@@](CC2)(/C(/CCC3)=C/C=C/4/C[C@@H](O)C[C@H](O)C4=C)[H])C)[H])C)CC(C1=O)=C

subset

  • 2_STAR

synonym EXACT

  • (5R)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197108

Download this concept: