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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 > 12-ketoporrigenin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 12-ketoporrigenin

Preferred term

12-ketoporrigenin  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O5

inchi

  • InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21-,22+,24+,25-,26-,27-/m1/s1

inchikey

  • AEDBOXCTQDATMF-FBGJJBNLSA-N

mass

  • 446.628

monoisotopicmass

  • 446.30322

smiles

  • O1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@@]([C@H](O)C4)(C[C@@H](O)CC5)[H])C)(CC3=O)[H])[H])(C2)[H])C)([C@@H]([C@]16OC[C@@H](CC6)C)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-16,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175573

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