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

Preferred term

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

Type

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

charge

  • 0

formula

  • C21H32O4

has_role

inchi

  • InChI=1S/C21H32O4/c1-15(2)21(23)10-8-17-14-18(25-19(17)22)13-16(3)7-6-9-20(4,24-5)11-12-21/h7,11-12,14-15,18,23H,6,8-10,13H2,1-5H3/b12-11+,16-7+/t18-,20-,21-/m1/s1

inchikey

  • SNVXMOVBQLWNPN-ATPCUWRTSA-N

mass

  • 348.47640

monoisotopicmass

  • 348.23006

smiles

  • CO[C@]1(C)CC/C=C(C)/C[C@H]2OC(=O)C(CC[C@](O)(C(C)C)/C=C/1)=C2

subset

  • 3_STAR

synonym EXACT

  • (4S*,5E,7R*,10E,13R*)-4-hydroxy-7-methoxy-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:68864

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