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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 > palustrisoic acid f
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > palustrisoic acid f

Preferred term

palustrisoic acid f  

Type

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

Broader concept

charge

  • 0

formula

  • C38H58O8

inchi

  • InChI=1S/C38H58O8/c1-22(24(3)33(42)43)11-12-23(2)25-15-18-37(8)26-13-14-28-34(4,5)30(46-32(41)21-35(6,44)20-31(40)45-10)16-17-36(28,7)27(26)19-29(39)38(25,37)9/h23-25,28,30,44H,1,11-21H2,2-10H3,(H,42,43)/t23-,24+,25-,28+,30-,35+,36-,37+,38+/m1/s1

inchikey

  • QBLJMSZQHKTGMS-ABPJCGGPSA-N

mass

  • 642.874

monoisotopicmass

  • 642.41317

smiles

  • O=C1[C@]2([C@](C=3CC[C@@H]4[C@@](C3C1)(CC[C@H](C4(C)C)OC(=O)C[C@@](O)(CC(=O)OC)C)C)(CC[C@@H]2[C@@H](CCC(=C)[C@@H](C(=O)O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,6R)-6-[(3R,5R,10S,13R,14S,17R)-3-[(3S)-3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl]oxy-4,4,10,13,14-pentamethyl-12-oxo-1,2,3,5,6,7,11,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215828

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