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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 > 3,16,21,28-tetrahydroxyolean-12-en-22-yl (2z)-2-methyl-2-butenoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 3,16,21,28-tetrahydroxyolean-12-en-22-yl (2z)-2-methyl-2-butenoate

Preferred term

3,16,21,28-tetrahydroxyolean-12-en-22-yl (2z)-2-methyl-2-butenoate  

Type

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

Broader concept

charge

  • 0

formula

  • C35H56O6

inchi

  • InChI=1S/C35H56O6/c1-10-20(2)29(40)41-28-27(39)35(19-36)22(17-30(28,3)4)21-11-12-24-32(7)15-14-25(37)31(5,6)23(32)13-16-33(24,8)34(21,9)18-26(35)38/h10-11,22-28,36-39H,12-19H2,1-9H3/b20-10-/t22-,23-,24+,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1

inchikey

  • SJSCBAFROHXGCX-MAVWQDHUSA-N

mass

  • 572.827

monoisotopicmass

  • 572.40769

smiles

  • O[C@H]1[C@@]2([C@](C=3[C@]([C@]4([C@@]([C@@]5([C@@](CC4)(C([C@@H](O)CC5)(C)C)[H])C)(CC3)[H])C)(C1)C)(CC([C@@H](OC(=O)/C(/C)=C/C)[C@@H]2O)(C)C)[H])CO

subset

  • 2_STAR

synonym EXACT

  • [(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,5,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177581

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