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 > isoprenoid > terpenoid > diterpenoid > 7alpha-ethoxycallitirisic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 7alpha-ethoxycallitirisic acid

Preferred term

7alpha-ethoxycallitirisic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O3

inchi

  • InChI=1S/C22H32O3/c1-6-25-18-13-19-21(4,10-7-11-22(19,5)20(23)24)17-9-8-15(14(2)3)12-16(17)18/h8-9,12,14,18-19H,6-7,10-11,13H2,1-5H3,(H,23,24)/t18-,19-,21-,22-/m1/s1

inchikey

  • XNNFKZGZYPONJD-UGESXGAOSA-N

mass

  • 344.495

monoisotopicmass

  • 344.23514

smiles

  • O=C(O)[C@]1([C@H]2[C@@](C3=C(C=C(C(C)C)C=C3)[C@@H](C2)OCC)(CCC1)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,4aS,9R,10aR)-9-ethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214798

Download this concept:

RDF/XML TURTLE JSON-LD