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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 > (22s,24e)-15alpha-hydroxy-3beta,7alpha,22-triacetoxylanosta-8,24-dien-26-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (22s,24e)-15alpha-hydroxy-3beta,7alpha,22-triacetoxylanosta-8,24-dien-26-oic acid

Preferred term

(22s,24e)-15alpha-hydroxy-3beta,7alpha,22-triacetoxylanosta-8,24-dien-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C36H54O9

inchi

  • InChI=1S/C36H54O9/c1-19(32(41)42)11-12-26(43-21(3)37)20(2)25-17-29(40)36(10)31-24(13-16-35(25,36)9)34(8)15-14-30(45-23(5)39)33(6,7)28(34)18-27(31)44-22(4)38/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+/t20-,25+,26-,27+,28-,29-,30-,34+,35+,36-/m0/s1

inchikey

  • GHQBLEWBYHWXAC-PRMUBRKNSA-N

mass

  • 630.819

monoisotopicmass

  • 630.37678

smiles

  • O=C(O)/C(=C/C[C@H](OC(=O)C)[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](OC(=O)C)CC4)(C)C)C[C@H]3OC(=O)C)C)CC2)(C)[C@H](C1)O)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,7-diacetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207344

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