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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 > lipid > steroid > cholanoid > 16alpha,25-dihydroxydehydroeburiconic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 16alpha,25-dihydroxydehydroeburiconic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 16alpha,25-dihydroxydehydroeburiconic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 16alpha,25-dihydroxydehydroeburiconic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 16alpha,25-dihydroxydehydroeburiconic acid

Preferred term

16alpha,25-dihydroxydehydroeburiconic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O5

inchi

  • InChI=1S/C31H46O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-23,25,32,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19?,22-,23+,25+,29-,30-,31+/m1/s1

inchikey

  • SQDBINMAYPNYDY-BBQKHDEISA-N

mass

  • 498.704

monoisotopicmass

  • 498.33452

smiles

  • O=C1C([C@H]2[C@](C=3C([C@]4([C@]([C@@H](C(C(=O)O)CCC(=C)C(O)(C)C)[C@@H](C4)O)(C)CC3)C)=CC2)(C)CC1)(C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214302

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