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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 > 15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-

Preferred term

15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C27H32O5

has_role

inchi

  • InChI=1S/C27H32O5/c1-26(14-11-19-13-16-31-17-19)21(18-32-25(30)20-7-4-3-5-8-20)12-15-27(2)22(24(28)29)9-6-10-23(26)27/h3-5,7-9,13,16-17,21,23H,6,10-12,14-15,18H2,1-2H3,(H,28,29)/t21-,23-,26+,27+/m0/s1

inchikey

  • DLXCJIWTYVKNPT-KNSGPAFVSA-N

mass

  • 436.54000

monoisotopicmass

  • 436.22497

smiles

  • [H][C@@]12CCC=C(C(O)=O)[C@@]1(C)CC[C@@H](COC(=O)c1ccccc1)[C@@]2(C)CCc1ccoc1

subset

  • 2_STAR

synonym RELATED

  • rel-(4aR,5S,6S,8aS)-6-[(benzoyloxy)methyl]-5-[2-(3-furyl)ethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67868

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