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Chemistry, part 2

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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 > sesquiterpenoid > celafolin a-1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > celafolin a-1

Preferred term

celafolin a-1  

Type

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

Broader concept

charge

  • 0

formula

  • C33H38O7

has_role

inchi

  • InChI=1S/C33H38O7/c1-21-16-18-26(37-22(2)34)32(5)27(38-30(36)24-14-10-7-11-15-24)20-25-29(33(21,32)40-31(25,3)4)39-28(35)19-17-23-12-8-6-9-13-23/h6-15,17,19,21,25-27,29H,16,18,20H2,1-5H3/b19-17+/t21-,25-,26+,27+,29-,32+,33-/m1/s1

inchikey

  • HYPWFAUBYBMXNJ-DMRFDBRWSA-N

mass

  • 546.65060

monoisotopicmass

  • 546.26175

smiles

  • [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)/C=C/c1ccccc1)OC(C)=O

subset

  • 2_STAR

synonym RELATED

  • 1beta-acetoxy-9alpha-benzoyloxy-6alpha-cinnamoyloxy-dihydro-beta-agarofuran
  • (1S,2R,5S,6S,7S,9R,12R)-5-Acetoxy-2,6,10,10-tetramethyl-12-{[(2E)-3-phenyl-2-propenoyl]oxy}-11-oxatricyclo[7.2.1.0[1,6]]dodec-7-yl benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66831

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