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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 > (2r)-2-[(5r,10s,13r,14r,16s,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-oxoheptanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (2r)-2-[(5r,10s,13r,14r,16s,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-oxoheptanoic acid

Preferred term

(2r)-2-[(5r,10s,13r,14r,16s,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-oxoheptanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O5

inchi

  • InChI=1S/C30H44O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h9,12,17-18,22-23,25,32H,8,10-11,13-16H2,1-7H3,(H,34,35)/t18-,22+,23+,25+,28-,29-,30+/m1/s1

inchikey

  • URDXCYNVGQNYOD-ZLKNQHQWSA-N

mass

  • 484.677

monoisotopicmass

  • 484.31887

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(5R,10S,13R,14R,16S,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-oxoheptanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200039

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