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Concept information

Preferred term

آسپترپناسید B  

Type

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

charge

  • 0

formula

  • C25H40O4

inchi

  • InChI=1S/C25H40O4/c1-13(2)16-9-10-22(5)17(16)12-24(29)19(20(22)26)14(3)8-11-23-15(4)6-7-18(23)25(23,24)21(27)28/h13-20,26,29H,6-12H2,1-5H3,(H,27,28)/t14-,15-,16+,17-,18+,19-,20-,22-,23-,24+,25+/m0/s1

inchikey

  • UNEUBHPEGNVSJI-OUCWJSKGSA-N

mass

  • 404.591

monoisotopicmass

  • 404.29266

smiles

  • O=C(O)[C@@]12[C@]3(O)[C@@H]([C@@H](C)CC[C@@]14[C@H](CC[C@@H]24)C)[C@H](O)[C@]5(CC[C@@H]([C@@H]5C3)C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,3R,6S,7S,10S,11S,12S,13S,16R,17S)-1,12-dihydroxy-6,10,13-trimethyl-16-propan-2-ylpentacyclo[9.7.0.02,7.03,7.013,17]octadecane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216248

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