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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > triol > rel-(+)-(1s,4r,8s,10r)-1,4,8-trihydroxycembra-2e,6e,11z-trien-20,10-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > rel-(+)-(1s,4r,8s,10r)-1,4,8-trihydroxycembra-2e,6e,11z-trien-20,10-olide
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > diterpene lactone > rel-(+)-(1s,4r,8s,10r)-1,4,8-trihydroxycembra-2e,6e,11z-trien-20,10-olide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > rel-(+)-(1s,4r,8s,10r)-1,4,8-trihydroxycembra-2e,6e,11z-trien-20,10-olide
... > organooxygen compound > ester > lactone > terpene lactone > diterpene lactone > rel-(+)-(1s,4r,8s,10r)-1,4,8-trihydroxycembra-2e,6e,11z-trien-20,10-olide
... > organooxygen compound > oxacycle > lactone > terpene lactone > diterpene lactone > rel-(+)-(1s,4r,8s,10r)-1,4,8-trihydroxycembra-2e,6e,11z-trien-20,10-olide

Preferred term

rel-(+)-(1s,4r,8s,10r)-1,4,8-trihydroxycembra-2e,6e,11z-trien-20,10-olide  

Type

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

charge

  • 0

formula

  • C20H30O5

has_role

inchi

  • InChI=1S/C20H30O5/c1-14(2)20(24)9-6-15-12-16(25-17(15)21)13-19(4,23)8-5-7-18(3,22)10-11-20/h5,8,10-12,14,16,22-24H,6-7,9,13H2,1-4H3/b8-5+,11-10+/t16-,18+,19+,20+/m0/s1

inchikey

  • PZFBVODTZGEVTO-MCERNNHQSA-N

mass

  • 350.44920

monoisotopicmass

  • 350.20932

smiles

  • CC(C)[C@@]1(O)CCC2=C[C@@H](C[C@](C)(O)/C=C/C[C@@](C)(O)/C=C/1)OC2=O

subset

  • 3_STAR

synonym EXACT

  • (4S*,5E,7R*,9E,11S*,13R*)-4,7,11-trihydroxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,9-trien-15-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68873

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