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Chemistry, part 2

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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 > astrogorgiadiol b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > astrogorgiadiol b

Preferred term

astrogorgiadiol b  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O2

inchi

  • InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)24-13-14-25-23(26(29)15-16-27(24,25)5)12-10-21-17-22(28)11-9-19(21)3/h9,11,17-18,20,23-26,28-29H,6-8,10,12-16H2,1-5H3/t20-,23+,24-,25+,26-,27-/m1/s1

inchikey

  • RAIDHOLJIAWOMY-DKQGWWAXSA-N

mass

  • 400.647

monoisotopicmass

  • 400.33413

smiles

  • O[C@H]1[C@H]([C@]2([C@@]([C@](CC2)([C@@H](CCCC(C)C)C)[H])(CC1)C)[H])CCC3=C(C=CC(O)=C3)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3aS,4S,5R,7aR)-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-5-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187939

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