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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > 16-o-deacetylhelvolic acid 21,16-lactone
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > 16-o-deacetylhelvolic acid 21,16-lactone
organooxygen compound > ester > lactone > steroid lactone > 16-o-deacetylhelvolic acid 21,16-lactone
organooxygen compound > oxacycle > lactone > steroid lactone > 16-o-deacetylhelvolic acid 21,16-lactone

Preferred term

16-o-deacetylhelvolic acid 21,16-lactone  

Type

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

Broader concept

charge

  • 0

formula

  • C31H40O6

inchi

  • InChI=1S/C31H40O6/c1-16(2)9-8-10-19-24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(36-18(4)32)27(34)31(23,7)30(20,6)15-22(24)37-28(19)35/h9,13-14,17,20,22-23,25-26H,8,10-12,15H2,1-7H3/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1

inchikey

  • UJLGIFPRBONJKE-PREXDRGQSA-N

mass

  • 508.655

monoisotopicmass

  • 508.28249

smiles

  • O=C1C=C[C@@]2([C@H]3[C@]([C@@]4([C@H](C5=C(C(=O)O[C@H]5C4)CCC=C(C)C)CC3)C)(C)C([C@H]([C@H]2[C@@H]1C)OC(=O)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2S,4S,9R,12S,13R,17S,18S,19S)-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-6,16,20-trioxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-7,14-dien-19-yl] acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210131

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