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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 h
... > 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 h

Preferred term

palustrisoic acid h  

Type

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

Broader concept

charge

  • 0

formula

  • C38H60O8

inchi

  • InChI=1S/C38H60O8/c1-22(2)23(3)11-12-24(33(42)43)32-27(39)19-38(9)26-13-14-28-34(4,5)29(46-31(41)21-35(6,44)20-30(40)45-10)16-17-36(28,7)25(26)15-18-37(32,38)8/h22,24,27-29,32,39,44H,3,11-21H2,1-2,4-10H3,(H,42,43)/t24-,27-,28+,29-,32+,35+,36-,37-,38+/m1/s1

inchikey

  • QDAFVTFMFWMYRP-PDSVFSMYSA-N

mass

  • 644.890

monoisotopicmass

  • 644.42882

smiles

  • O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)C[C@@](O)(CC(=O)OC)C)CC4)(C)C)CC3)C)CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215745

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