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Chemistry, part 1

Content language

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Concept information

3beta-hydroxy steroid > 2-deoxyecdysone

Preferred term

2-deoxyecdysone  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O5

has_functional_parent

has_parent_hydride

inchi

  • InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,25+,26+,27+/m0/s1

inchikey

  • CRAPXAGGASWTPU-VQOIUDCISA-N

is_conjugate_acid_of

mass

  • 448.63526

monoisotopicmass

  • 448.31887

smiles

  • [H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O

subset

  • 3_STAR

synonym EXACT

  • (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one
  • 2-deoxyecdysone

synonym RELATED

  • 2-Deoxy-alpha-ecdysone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:19566

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