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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > (+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > (+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > (+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
organooxygen compound > ether > (+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclic terpene ketone > (+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
... > organooxygen compound > carbonyl compound > ketone > terpene ketone > cyclic terpene ketone > (+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > terpene ketone > cyclic terpene ketone > (+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene

Preferred term

(+)-(5s,7r)-7-ethoxy-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene  

Type

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

charge

  • 0

formula

  • C21H28O3

inchi

  • InChI=1S/C21H28O3/c1-6-24-20-10-18-16(7-13(22)11-21(18,4)5)15-9-19(23)14(12(2)3)8-17(15)20/h7-9,12,18,20,23H,6,10-11H2,1-5H3/t18-,20-/m1/s1

inchikey

  • PBWYWMUNSHLHRZ-UYAOXDASSA-N

mass

  • 328.44520

monoisotopicmass

  • 328.20384

smiles

  • CCO[C@@H]1C[C@@H]2C(=CC(=O)CC2(C)C)c2cc(O)c(cc12)C(C)C

subset

  • 3_STAR

synonym EXACT

  • (9R,10aS)-9-ethoxy-6-hydroxy-1,1-dimethyl-7-(propan-2-yl)-1,9,10,10a-tetrahydrophenanthren-3(2H)-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70572

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