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Chemistry, part 2

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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 > brabetaicicene u
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > brabetaicicene u

Preferred term

brabetaicicene u  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O4

inchi

  • InChI=1S/C21H32O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18,22,24H,6-9,11H2,1-5H3/t13-,14+,18+,20-,21+/m1/s1

inchikey

  • HNROECGNLPWQIA-PGSXPZPXSA-N

mass

  • 348.483

monoisotopicmass

  • 348.23006

smiles

  • O=C1[C@]2(C(C[C@H](O)[C@H](C)[C@H]3C(=C2)[C@](O)(CC3)COC)=C(C1)C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,9S,10R,11S,14R)-9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215678

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