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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > 7alpha-hydroxyparavallarine
organooxygen compound > ester > lactone > steroid lactone > 7alpha-hydroxyparavallarine
organooxygen compound > oxacycle > lactone > steroid lactone > 7alpha-hydroxyparavallarine

Preferred term

7alpha-hydroxyparavallarine  

Type

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

Broader concept

charge

  • 0

formula

  • C22H33NO3

has_role

inchi

  • InChI=1S/C22H33NO3/c1-12-15-4-5-17-19-16(7-9-22(15,17)20(25)26-12)21(2)8-6-14(23-3)10-13(21)11-18(19)24/h11-12,14-19,23-24H,4-10H2,1-3H3/t12-,14-,15+,16-,17-,18+,19+,21-,22-/m0/s1

inchikey

  • PSCHPNOCVHDNMF-RZOBYWFHSA-N

mass

  • 359.50230

monoisotopicmass

  • 359.24604

smiles

  • [H][C@]12CC[C@@]3([H])[C@]4([H])[C@H](O)C=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@H]2C)NC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67713

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