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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > eudesmane sesquiterpenoid > 4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betah-eudesman-1beta,2beta,11, 14-tetraol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > eudesmane sesquiterpenoid > 4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betah-eudesman-1beta,2beta,11, 14-tetraol

Preferred term

4alpha,5alpha-diacetoxy-9alpha-benzoyloxy-7betah-eudesman-1beta,2beta,11, 14-tetraol  

Type

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

Broader concept

charge

  • 0

formula

  • C26H36O10

inchi

  • InChI=1S/C26H36O10/c1-15(28)35-24(5)13-19(30)21(31)25(14-27)20(34-22(32)17-9-7-6-8-10-17)11-18(23(3,4)33)12-26(24,25)36-16(2)29/h6-10,18-21,27,30-31,33H,11-14H2,1-5H3/t18-,19+,20+,21+,24+,25-,26+/m0/s1

inchikey

  • SGJICULKIRHGJX-YEQNHOGMSA-N

mass

  • 508.564

monoisotopicmass

  • 508.23085

smiles

  • O=C(O[C@H]1[C@@]2([C@](OC(=O)C)([C@](OC(=O)C)(C[C@H]([C@H]2O)O)C)C[C@H](C1)C(O)(C)C)CO)C3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

  • [(1R,3S,4aS,5R,7R,8S,8aR)-4a,5-diacetyloxy-7,8-dihydroxy-8a-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)-5-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl] benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202881

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