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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 > monoterpenoid > crispane
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > crispane

Preferred term

crispane  

Type

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

Broader concept

charge

  • 0

formula

  • C20H32O3

inchi

  • InChI=1S/C20H32O3/c1-7-14(4)18(21)23-17-12-15(5)19(6)11-9-8-10-16(19)20(17,22)13(2)3/h7,12-13,16-17,22H,8-11H2,1-6H3/b14-7-/t16-,17-,19+,20-/m0/s1

inchikey

  • NXPBEWQMSGGADR-XUDYDAPFSA-N

mass

  • 320.473

monoisotopicmass

  • 320.23514

smiles

  • O[C@]1([C@@]2([C@](CCCC2)(C(=C[C@@H]1OC(=O)/C(/C)=C/C)C)C)[H])C(C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,4aS,8aS)-1-hydroxy-4,4a-dimethyl-1-propan-2-yl-2,5,6,7,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175103

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