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Concept information

organooxygen compound > 1,7-dideacetoxy-1,7-dioxo-3-deacetylkhivorin

Preferred term

1,7-dideacetoxy-1,7-dioxo-3-deacetylkhivorin  

Type

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

charge

  • 0

formula

  • C26H32O7

inchi

  • InChI=1S/C26H32O7/c1-22(2)15-10-18(29)25(5)14(24(15,4)17(28)11-16(22)27)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)33-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3/t14?,15?,16-,19+,20-,23+,24-,25+,26-/m1/s1

inchikey

  • BSZLLSHGSWKZRE-IYLQSFRJSA-N

mass

  • 456.535

monoisotopicmass

  • 456.21480

smiles

  • O1[C@@]23[C@]4(C([C@@]5(C(CC4=O)C([C@H](O)CC5=O)(C)C)C)CC[C@]2([C@@H](OC(=O)[C@@]13[H])C=6C=COC6)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,4S,7S,8S,12S,15R)-7-(uran-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,13,19-trione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193201

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