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Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
organooxygen compound > ester > carboxylic ester > butyrate ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
organooxygen compound > carbonyl compound > carboxylic ester > butyrate ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
... > organooxygen compound > ester > carboxylic ester > fatty acid ester > butyrate ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
... > organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
organooxygen compound > ester > carboxylic ester > acetate ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
organooxygen compound > ester > carboxylic ester > phorbol ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)
organooxygen compound > carbonyl compound > carboxylic ester > phorbol ester > 12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)

Preferred term

12-deoxyphorbol 20-acetate 13-(2-methylbutanoate)  

Type

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

charge

  • 0

formula

  • C27H38O7

inchi

  • InChI=1S/C27H38O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h9-10,14,16,19-21,31-32H,8,11-13H2,1-7H3/t14?,16-,19+,20-,21-,25-,26+,27-/m1/s1

inchikey

  • QOSLYAARSBMQOF-NBJLYKDOSA-N

mass

  • 474.58642

monoisotopicmass

  • 474.26175

smiles

  • [H][C@@]12C=C(COC(C)=O)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)C[C@]1(OC(=O)C(C)CC)[C@@]2([H])C1(C)C

subset

  • 3_STAR

synonym EXACT

  • (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-(acetoxymethyl)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl 2-methylbutanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4660

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