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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 > hopanoid > (22s)-moretan-29-ol acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > hopanoid > (22s)-moretan-29-ol acetate

Preferred term

(22s)-moretan-29-ol acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H54O2

inchi

  • InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21-,23+,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1

inchikey

  • QSIMBUYUBYRBSU-SQOYUYPGSA-N

mass

  • 470.782

monoisotopicmass

  • 470.41238

smiles

  • O=C(OC[C@H]([C@H]1[C@H]2[C@]([C@@H]3[C@@]([C@]4([C@@H]([C@@]5([C@H](C(CCC5)(C)C)CC4)C)CC3)C)(C)CC2)(C)CC1)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S)-2-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204925

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