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

Preferred term

dimethyl poricoate f  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O6

inchi

  • InChI=1S/C31H46O6/c1-18(2)19(3)8-9-21(28(36)37)27-25(33)16-31(7)24-11-10-22(20(4)17-32)29(5,14-13-26(34)35)23(24)12-15-30(27,31)6/h11-12,18,21-22,25,27,32-33H,3-4,8-10,13-17H2,1-2,5-7H3,(H,34,35)(H,36,37)/t21?,22-,25+,27-,29-,30+,31-/m0/s1

inchikey

  • RBBCMULWYWYPHY-KGXQETAESA-N

mass

  • 514.703

monoisotopicmass

  • 514.32944

smiles

  • O=C(O)C([C@@H]1[C@@]2([C@@](C=3C([C@]([C@H](C(=C)CO)CC3)(CCC(=O)O)C)=CC2)(C)C[C@H]1O)C)CCC(=C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214745

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