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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > tertiary alpha-hydroxy ketone > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
organooxygen compound > ether > cyclic ether > epoxide > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
organooxygen compound > oxacycle > cyclic ether > epoxide > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
organooxygen compound > ester > carboxylic ester > acetate ester > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > lathyrane diterpenoid > (-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one

Preferred term

(-)-(12e,2s,3s,4r,5r,6r,9s,11s,15r)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one  

Type

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

charge

  • 0

formula

  • C22H32O5

inchi

  • InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(26-13(3)23)12(2)10-22(16,25)18(11)24/h9,12,14-17,19,25H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1

inchikey

  • UYGFMYCDFZUFFD-YCYMDWBLSA-N

mass

  • 376.48650

monoisotopicmass

  • 376.22497

smiles

  • C[C@H]1C[C@@]2(O)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](/C=C(C)/C2=O)C3(C)C)[C@H]1OC(C)=O

subset

  • 3_STAR

synonym EXACT

  • (1aR,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-4a-hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-1b,2,3,4,4a,5,7a,8,8a,9,10,10a-dodecahydro-1aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-2-yl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67688

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