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 > triterpenoid > 3alpha-acetylpolyporenic acid a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3alpha-acetylpolyporenic acid a

Preferred term

3alpha-acetylpolyporenic acid a  

Type

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

Broader concept

charge

  • 0

formula

  • C33H52O5

inchi

  • InChI=1S/C33H52O5/c1-19(21(3)29(36)37)10-11-20(2)23-14-17-32(8)24-12-13-26-30(5,6)28(38-22(4)34)15-16-31(26,7)25(24)18-27(35)33(23,32)9/h20-21,23,26-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,21-,23+,26?,27-,28+,31+,32-,33-/m0/s1

inchikey

  • RBSWPLGAXXFHGY-JJAAPAMKSA-N

mass

  • 528.774

monoisotopicmass

  • 528.38147

smiles

  • O=C(O)[C@H](C(=C)CCC([C@@H]1[C@@]2([C@@](C3=C([C@@]4(C(C([C@H](OC(=O)C)CC4)(C)C)CC3)C)C[C@@H]2O)(C)CC1)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-6-[(3R,10S,12S,13R,14S,17R)-3-acetyloxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218925

Download this concept:

RDF/XML TURTLE JSON-LD