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Concept information

... > organooxygen compound > ester > carboxylic ester > fatty acid ester > decanoate ester > phorbol 13-decanoate 12-tiglate
organooxygen compound > ester > carboxylic ester > phorbol ester > phorbol 13-decanoate 12-tiglate
organooxygen compound > carbonyl compound > carboxylic ester > phorbol ester > phorbol 13-decanoate 12-tiglate

Preferred term

phorbol 13-decanoate 12-tiglate  

Type

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

alt_id

  • CHEBI:26016
  • CHEBI:8118

charge

  • 0

formula

  • C35H52O8

inchi

  • InChI=1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25+,26-,28-,30-,33-,34-,35-/m1/s1

inchikey

  • QWYNFKKVBDGBLL-KFWZAFQTSA-N

mass

  • 600.78258

monoisotopicmass

  • 600.36622

smiles

  • [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)C(/C)=C/C)[C@]1(OC(=O)CCCCCCCCC)[C@@]2([H])C1(C)C

subset

  • 3_STAR

synonym EXACT

  • (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-{[(2E)-2-methylbut-2-enoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28366

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