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 > cholestanoid > 3beta,5alpha-dihydroxycholesta-7,9(11)-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta,5alpha-dihydroxycholesta-7,9(11)-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 > cholestanoid > 3beta,5alpha-dihydroxycholesta-7,9(11)-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta,5alpha-dihydroxycholesta-7,9(11)-dien-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 3beta,5alpha-dihydroxycholesta-7,9(11)-dien-6-one

Preferred term

3beta,5alpha-dihydroxycholesta-7,9(11)-dien-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O3

inchi

  • InChI=1S/C27H42O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h12,15,17-19,21-22,28,30H,6-11,13-14,16H2,1-5H3/t18-,19+,21-,22+,25-,26-,27+/m1/s1

inchikey

  • AOSNBLFAXVTNOJ-PJEZMQEMSA-N

mass

  • 414.630

monoisotopicmass

  • 414.31340

smiles

  • O[C@]12[C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])=CC1=O)(CC[C@H](O)C2)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,10R,13R,14R,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193354

Download this concept:

RDF/XML TURTLE JSON-LD