skip to main content

Content language

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

Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 3-oxo-delta(4) steroid > 9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-delta(4) steroid > 9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-delta(4) steroid > 9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one

Preferred term

9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one  

Type

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

charge

  • 0

formula

  • C28H40O3

inchi

  • InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)22-11-12-23-24-10-9-20-15-21(29)13-14-27(20,6)28(24,31)25(30)16-26(22,23)5/h7-10,15,17-19,22,25,30-31H,11-14,16H2,1-6H3/b8-7+/t18-,19+,22+,25+,26+,27-,28-/m0/s1

inchikey

  • GBAGTCNHJJTJIL-YVVZYAQMSA-N

mass

  • 424.61540

monoisotopicmass

  • 424.29775

smiles

  • [H][C@@]1(CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@@]3(O)[C@H](O)C[C@]12C)[C@H](C)/C=C/[C@H](C)C(C)C

subset

  • 3_STAR

synonym EXACT

  • rel-(11alpha,22E)-9,11-dihydroxyergosta-4,6,8(14),22-tetraen-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68054

Download this concept: