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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 > diterpenoid > [(1r,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > [(1r,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

Preferred term

[(1r,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C35H44O13

inchi

  • InChI=1S/C35H44O13/c1-17-13-34(43)25(26(17)47-29(42)21-11-9-8-10-12-21)28(46-24(40)16-36)35(48-20(4)39)14-22-23(15-32(5,6)27(22)41)33(7,30(34)44-18(2)37)31(35)45-19(3)38/h8-12,17,22-23,25-26,28,30-31,36,43H,13-16H2,1-7H3/t17-,22+,23-,25+,26-,28+,30+,31+,33+,34+,35+/m0/s1

inchikey

  • XIZUZZXWYLTRAC-BSCNZNARSA-N

mass

  • 672.724

monoisotopicmass

  • 672.27819

smiles

  • O([C@]12[C@H](OC(=O)C)[C@]([C@@]3([C@@](C1)(C(=O)C(C3)(C)C)[H])[H])([C@@H](OC(=O)C)[C@]4(O)[C@@]([C@H]2OC(=O)CO)([C@@H](OC(=O)C5=CC=CC=C5)[C@H](C4)C)[H])C)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,2R,3R,4S,5S,7R,8R,9R,10S,14R,16R)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181637

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