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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 > thyrsiferyl-23-acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > thyrsiferyl-23-acetate

Preferred term

thyrsiferyl-23-acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H55BrO8

inchi

  • InChI=1S/C32H55BrO8/c1-20(34)38-28(4,5)23-14-18-30(7,39-23)22(35)13-16-29(6,36)24-10-11-25-31(8,40-24)19-15-26(37-25)32(9)17-12-21(33)27(2,3)41-32/h21-26,35-36H,10-19H2,1-9H3/t21-,22+,23+,24?,25-,26-,29?,30+,31+,32+/m0/s1

inchikey

  • CFIPFJIKZAGWFH-BKVFCTNJSA-N

mass

  • 647.688

monoisotopicmass

  • 646.30803

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 2-[(2R,5R)-5-[(1R)-4-[(2S,4aR,8aS)-2-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218740

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