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Concept information

organooxygen compound > ester > carboxylic ester > phorbol ester > 4-deoxyphorbol 12-acetate 13-(2z,4e,6e)-deca-2,4,6-trienoate
organooxygen compound > carbonyl compound > carboxylic ester > phorbol ester > 4-deoxyphorbol 12-acetate 13-(2z,4e,6e)-deca-2,4,6-trienoate

Preferred term

4-deoxyphorbol 12-acetate 13-(2z,4e,6e)-deca-2,4,6-trienoate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H42O7

inchi

  • InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-26(35)39-32-28(30(32,5)6)25-17-22(18-33)16-23-24(15-19(2)27(23)36)31(25,37)20(3)29(32)38-21(4)34/h9-15,17,20,23-25,28-29,33,37H,7-8,16,18H2,1-6H3/b10-9+,12-11+,14-13-/t20-,23+,24-,25+,28-,29-,31+,32-/m1/s1

inchikey

  • HZIPPZZEKIZPCY-PYANXVGJSA-N

mass

  • 538.67168

monoisotopicmass

  • 538.29305

smiles

  • [H][C@]12CC(CO)=C[C@@]3([H])[C@]4([H])C(C)(C)[C@]4(OC(=O)/C=C/C=C/C=C/CCC)[C@H](OC(C)=O)[C@@H](C)[C@]3(O)[C@]1([H])C=C(C)C2=O

subset

  • 3_STAR

synonym EXACT

  • (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-acetoxy-7b-hydroxy-3-(hydroxymethyl)-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 (2Z,4E,6E)-deca-2,4,6-trienoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4941

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