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 > limonoid > [(1r,2s,4r,6r,9r,10s,11r,12s,14r,15r,18r)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (e)-2-methylbut-2-enoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > [(1r,2s,4r,6r,9r,10s,11r,12s,14r,15r,18r)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (e)-2-methylbut-2-enoate

Preferred term

[(1r,2s,4r,6r,9r,10s,11r,12s,14r,15r,18r)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (e)-2-methylbut-2-enoate  

Type

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

Broader concept

charge

  • 0

formula

  • C34H44O9

inchi

  • InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23+,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1

inchikey

  • CJHBVBNPNXOWBA-HLIKQWNHSA-N

mass

  • 596.717

monoisotopicmass

  • 596.29853

smiles

  • O1[C@@]2([C@@]3([C@@]([C@@H]([C@]4([C@@]2(O[C@]5(C4=C([C@@H](C5)C=6C=COC6)C)[H])[H])C)CC(OC)=O)([C@@H](OC(=O)/C(/C)=C/C)C[C@@H](OC(=O)C)[C@]3(C1)C)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • [(1R,2S,4R,6R,9R,10S,11R,12S,14R,15R,18R)-14-acetyloxy-6-(uran-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181379

Download this concept:

RDF/XML TURTLE JSON-LD