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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > rel-(-)-(1s,4r,10r)-1,4-dihydroxycembra-2e,7e,11z-trien-20,10-olide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > rel-(-)-(1s,4r,10r)-1,4-dihydroxycembra-2e,7e,11z-trien-20,10-olide
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4r,10r)-1,4-dihydroxycembra-2e,7e,11z-trien-20,10-olide
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4r,10r)-1,4-dihydroxycembra-2e,7e,11z-trien-20,10-olide
... > organooxygen compound > ester > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4r,10r)-1,4-dihydroxycembra-2e,7e,11z-trien-20,10-olide
... > organooxygen compound > oxacycle > lactone > terpene lactone > diterpene lactone > rel-(-)-(1s,4r,10r)-1,4-dihydroxycembra-2e,7e,11z-trien-20,10-olide

Preferred term

rel-(-)-(1s,4r,10r)-1,4-dihydroxycembra-2e,7e,11z-trien-20,10-olide  

Type

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

charge

  • 0

formula

  • C20H30O4

has_role

inchi

  • InChI=1S/C20H30O4/c1-14(2)20(23)9-7-16-13-17(24-18(16)21)12-15(3)6-5-8-19(4,22)10-11-20/h6,10-11,13-14,17,22-23H,5,7-9,12H2,1-4H3/b11-10+,15-6+/t17-,19-,20-/m1/s1

inchikey

  • BPBFBKOCADVWMK-IZUAKNLWSA-N

mass

  • 334.44980

monoisotopicmass

  • 334.21441

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (4S*,5E,7R*,10E,13R*)-4,7-dihydroxy-7,11-dimethyl-4-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68865

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