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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 > (r)-4-((3s,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (r)-4-((3s,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Preferred term

(r)-4-((3s,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O5

inchi

  • InChI=1S/C27H42O5/c1-15(7-8-21(31)32)16-9-12-26(5)23-17(28)13-19-24(2,3)20(30)10-11-25(19,4)22(23)18(29)14-27(16,26)6/h15-16,19-20,22-23,30H,7-14H2,1-6H3,(H,31,32)/t15-,16-,19+,20+,22+,23-,25+,26+,27-/m1/s1

inchikey

  • DFWCSGAJNBBVMR-JYHUSGTRSA-N

mass

  • 446.628

monoisotopicmass

  • 446.30322

smiles

  • O=C1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C1)C)C)(C(=O)C[C@@]4([C@@]2(CC[C@H](O)C4(C)C)C)[H])[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184151

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