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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 > sesquiterpenoid > (3s,6r,9r)-9(10-6)abeo-5(10),7-cholestadien-3-ol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > (3s,6r,9r)-9(10-6)abeo-5(10),7-cholestadien-3-ol

Preferred term

(3s,6r,9r)-9(10-6)abeo-5(10),7-cholestadien-3-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O

inchi

  • InChI=1S/C27H44O/c1-17(2)7-6-8-19(4)25-11-12-26-24-16-23(21(24)13-14-27(25,26)5)22-15-20(28)10-9-18(22)3/h16-17,19-21,23,25-26,28H,6-15H2,1-5H3/t19-,20+,21-,23-,25-,26+,27-/m1/s1

inchikey

  • XXELXWZVVFMNHA-CDEMVWFCSA-N

mass

  • 384.648

monoisotopicmass

  • 384.33922

smiles

  • O[C@@H]1CC([C@]2([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])=C2)[H])[H])=C(CC1)C

subset

  • 2_STAR

synonym EXACT

  • (1S)-3-[(2R,2aR,4aR,5R,7aR)-4a-methyl-5-[(2R)-6-methylheptan-2-yl]-2,2a,3,4,5,6,7,7a-octahydrocyclobuta[e]inden-2-yl]-4-methylcyclohex-3-en-1-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173064

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