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Concept information

Preferred term

3-epi-25-hydroxyvitamin d3  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O2

inchi

  • InChI=1S/C27H44O2/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/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11-,22-12+/t20-,23-,24-,25+,27-/m1/s1

inchikey

  • JWUBBDSIWDLEOM-BQDJEZORSA-N

mass

  • 400.647

monoisotopicmass

  • 400.33413

smiles

  • OC(CCC[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3/C[C@H](O)CCC3=C)[H])C)[H])C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3E)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166757

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