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 > lipid > steroid > ergostanoid > 3,5-dihydroxyergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3,5-dihydroxyergosta-7,22-dien-6-one
... > 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 > ergostanoid > 3,5-dihydroxyergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 3,5-dihydroxyergosta-7,22-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 3,5-dihydroxyergosta-7,22-dien-6-one

Preferred term

3,5-dihydroxyergosta-7,22-dien-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O3

inchi

  • InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-24,29,31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20?,22+,23-,24-,26+,27+,28?/m0/s1

inchikey

  • KAIVGEVOBNIWLR-NSMOMACISA-N

mass

  • 428.657

monoisotopicmass

  • 428.32905

smiles

  • OC12[C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])(CC3)C)[H])=CC1=O)[H])(CCC(O)C2)C

subset

  • 2_STAR

synonym EXACT

  • (9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183561

Download this concept:

RDF/XML TURTLE JSON-LD