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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > 12b-o-[octa-2z,4e-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > 12b-o-[octa-2z,4e-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol

Preferred term

12b-o-[octa-2z,4e-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol  

Type

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

Broader concept

charge

  • 0

formula

  • C32H44O7

inchi

  • InChI=1S/C32H44O7/c1-8-9-10-11-12-13-25(34)38-28-20(5)31(37)23-14-19(4)26(35)22(23)15-21(17-33)16-24(31)27-30(6,7)32(27,28)39-29(36)18(2)3/h10-14,16,18,20,22-24,27-28,33,37H,8-9,15,17H2,1-7H3/b11-10+,13-12-/t20-,22+,23-,24+,27-,28-,31+,32-/m1/s1

inchikey

  • SVAPNKGLWRWWCI-GASJSDEUSA-N

mass

  • 540.697

monoisotopicmass

  • 540.30870

smiles

  • O([C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@@H]([C@H]2OC(=O)/C=C/C=C/CCC)C)[C@]4([C@](CC(=C3)CO)(C(=O)C(=C4)C)[H])[H])[H])[H])C(=O)C(C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,6S,10S,11R,13S,14R,15R)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182035

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