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 > 9-oxo-9,11-seco-campest-5-en-3beta,11-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 9-oxo-9,11-seco-campest-5-en-3beta,11-diol
... > 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 > 9-oxo-9,11-seco-campest-5-en-3beta,11-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > 9-oxo-9,11-seco-campest-5-en-3beta,11-diol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > 9-oxo-9,11-seco-campest-5-en-3beta,11-diol

Preferred term

9-oxo-9,11-seco-campest-5-en-3beta,11-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H48O3

inchi

  • InChI=1S/C28H48O3/c1-18(2)19(3)7-8-20(4)24-11-12-25(28(24,6)15-16-29)23-10-9-21-17-22(30)13-14-27(21,5)26(23)31/h9,18-20,22-25,29-30H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,27+,28-/m1/s1

inchikey

  • IWHGIUPHPWHJHD-LCGGPHJGSA-N

mass

  • 432.689

monoisotopicmass

  • 432.36035

smiles

  • O=C1[C@]([C@]2([C@@]([C@](CC2)([C@@H](CC[C@H](C(C)C)C)C)[H])(CCO)C)[H])(CC=C3[C@@]1(CC[C@H](O)C3)C)[H]

subset

  • 2_STAR

synonym EXACT

  • (2S,6S,8aS)-2-[(1S,2R,3R)-3-[(2R,5R)-5,6-dimethylheptan-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173195

Download this concept:

RDF/XML TURTLE JSON-LD