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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 > sesterterpenoid > scalarane sesterterpenoid > aspterpenacid a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > aspterpenacid a

Preferred term

aspterpenacid a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O5

inchi

  • InChI=1S/C27H42O5/c1-14(2)18-10-11-24(6)19(18)13-26(31)21(22(24)32-17(5)28)15(3)9-12-25-16(4)7-8-20(25)27(25,26)23(29)30/h14-16,18-22,31H,7-13H2,1-6H3,(H,29,30)/t15-,16-,18+,19-,20+,21-,22+,24-,25-,26+,27+/m0/s1

inchikey

  • KFJVNPYEFKMGFB-NRCAVMDQSA-N

mass

  • 446.628

monoisotopicmass

  • 446.30322

smiles

  • O=C(O)[C@@]12[C@]3(O)[C@@H]([C@@H](C)CC[C@@]14[C@H](CC[C@@H]24)C)[C@@H](OC(=O)C)[C@]5(CC[C@@H]([C@@H]5C3)C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,3R,6S,7S,10S,11S,12R,13S,16R,17S)-12-acetyloxy-1-hydroxy-6,10,13-trimethyl-16-propan-2-ylpentacyclo[9.7.0.02,7.03,7.013,17]octadecane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216243

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