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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > acetyl botryenaloate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > dicarboxylic acid > acetyl botryenaloate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > dicarboxylic acid > acetyl botryenaloate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > dicarboxylic acid > acetyl botryenaloate

Preferred term

acetyl botryenaloate  

Type

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

Broader concept

charge

  • 0

formula

  • C17H24O5

inchi

  • InChI=1S/C17H24O5/c1-9-6-12(22-10(2)19)14-13(11(9)7-18)17(5,15(20)21)8-16(14,3)4/h7,9,12,14H,6,8H2,1-5H3,(H,20,21)/t9-,12+,14-,17+/m1/s1

inchikey

  • WJDMOSUZDQFRMJ-QJKURVHFSA-N

mass

  • 308.374

monoisotopicmass

  • 308.16237

smiles

  • O=C(O)[C@@]1(C2=C(C=O)[C@@H](C[C@@H]([C@H]2C(C1)(C)C)OC(=O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3aS,4S,6R)-4-acetyloxy-7-ormyl-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-indene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200763

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