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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 > triterpenoid > limonoid > heudelottin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > heudelottin c

Preferred term

heudelottin c  

Type

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

Broader concept

charge

  • 0

formula

  • C39H54O11

inchi

  • InChI=1S/C39H54O11/c1-11-20(4)30(47-21(5)40)34(45)49-32-29(43)31-36(8)14-12-25(41)35(6,7)24(36)17-26(48-33(44)28(42)19(2)3)38(31,10)39-27(50-39)16-23(37(32,39)9)22-13-15-46-18-22/h12-15,18-20,23-24,26-32,42-43H,11,16-17H2,1-10H3/t20?,23-,24-,26+,27+,28?,29+,30?,31+,32-,36-,37+,38+,39+/m0/s1

inchikey

  • BYWKXGOBXNXUER-CBGLDROUSA-N

mass

  • 698.850

monoisotopicmass

  • 698.36661

smiles

  • O1[C@@]23[C@]4([C@]([C@@H](O)[C@H](OC(=O)C(OC(=O)C)C(CC)C)[C@]2([C@@H](C[C@@]13[H])C=5C=COC5)C)([C@@]6([C@@](C[C@H]4OC(=O)C(O)C(C)C)(C(C(=O)C=C6)(C)C)[H])C)[H])C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,4R,6S,7R,8R,9R,10R,11S,16R,18R)-6-(uran-3-yl)-9-hydroxy-18-(2-hydroxy-3-methylbutanoyl)oxy-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-8-yl] 2-acetyloxy-3-methylpentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188279

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