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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 > diterpenoid > 3beta-acetoxy-agathic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 3beta-acetoxy-agathic acid

Preferred term

3beta-acetoxy-agathic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O6

inchi

  • InChI=1S/C22H32O6/c1-13(12-19(24)25)6-8-16-14(2)7-9-17-21(16,4)11-10-18(28-15(3)23)22(17,5)20(26)27/h12,16-18H,2,6-11H2,1,3-5H3,(H,24,25)(H,26,27)/b13-12+/t16-,17+,18-,21+,22+/m0/s1

inchikey

  • UEKXJNKCCNIVGO-PIHFFYBVSA-N

mass

  • 392.492

monoisotopicmass

  • 392.21989

smiles

  • O=C(O)/C=C(/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CC[C@@H]([C@@]2(C(=O)O)C)OC(=O)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,4aR,5S,8aR)-2-acetyloxy-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209836

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