skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > 2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol

Preferred term

2alpha-chloro-1beta,25-dihydroxyvitamin d3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H43ClO3

inchi

  • InChI=1S/C27H43ClO3/c1-17(8-6-14-26(3,4)31)21-12-13-22-19(9-7-15-27(21,22)5)10-11-20-16-23(29)24(28)25(30)18(20)2/h10-11,17,21-25,29-31H,2,6-9,12-16H2,1,3-5H3/b19-10+,20-11-/t17-,21-,22+,23-,24+,25+,27-/m1/s1

inchikey

  • YBTPGKMEEDFQBI-CHGYUPLRSA-N

mass

  • 451.090

monoisotopicmass

  • 450.29007

smiles

  • Cl[C@H]1[C@H](O)C/C(=C/C=C/2/[C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)(C)C)C)[H])(CCC2)C)[H])/C([C@@H]1O)=C

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,3S,5Z)-5-[(2E)-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]-2-chloro-4-methylidenecyclohexane-1,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178629

Download this concept:

RDF/XML TURTLE JSON-LD