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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 > 2alpha-acetoxyisomotiol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > 2alpha-acetoxyisomotiol

Preferred term

2alpha-acetoxyisomotiol  

Type

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

Broader concept

charge

  • 0

formula

  • C32H52O3

has_role

inchi

  • InChI=1S/C32H52O3/c1-19(2)21-10-13-26-29(21,6)16-17-31(8)23-11-12-25-28(4,5)27(34)24(35-20(3)33)18-30(25,7)22(23)14-15-32(26,31)9/h19,21,24-27,34H,10-18H2,1-9H3/t21-,24-,25+,26-,27+,29-,30-,31-,32+/m1/s1

inchikey

  • NDHOYPXYLNBEOP-DOPOZWGESA-N

mass

  • 484.765

monoisotopicmass

  • 484.39165

smiles

  • C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H]([C@@H]1OC(=O)C)O)(C)C)[H])(C)CC[C@]5([C@]4(CC[C@@H]5C(C)C)[H])C)C)C

subset

  • 2_STAR

synonym EXACT

  • 2alpha-acetoxyisomotiol

synonym RELATED

  • 2alpha-O-acetylisomotiol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232473

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