skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

آکرمولاکتون C  

Type

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

charge

  • 0

formula

  • C26H32O7

inchi

  • InChI=1S/C26H32O7/c1-5-6-9-14(3)21(28)19-20-18-15(12-17(27)25(20,4)33-24(19)31)22(29)26(32,23(18)30)16-11-8-7-10-13(16)2/h7-11,17,19-21,23,27-28,30,32H,5-6,12H2,1-4H3/b14-9+/t17-,19-,20+,21+,23-,25+,26-/m0/s1

inchikey

  • WFSQOASGVQNLMJ-VCFCRMMKSA-N

mass

  • 456.535

monoisotopicmass

  • 456.21480

smiles

  • O=C1C2=C([C@H]3[C@@](OC([C@@H]3[C@H](O)/C(=C/CCC)/C)=O)(C)[C@H](C2)O)[C@@H]([C@]1(O)C4=C(C=CC=C4)C)O

subset

  • 2_STAR

synonym EXACT

  • (1S,3aS,4S,7R,8S,8bS)-4,7,8-trihydroxy-1-[(E,1S)-1-hydroxy-2-methylhex-2-enyl]-3a-methyl-7-(2-methylphenyl)-4,5,8,8b-tetrahydro-1H-cyclopenta[e][1]benzouran-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206102

Download this concept: