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Concept information

Preferred term

1 epi paeciloketal B  

Type

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

Broader concept

charge

  • 0

formula

  • C33H46O5

inchi

  • InChI=1S/C33H46O5/c1-4-6-8-10-12-14-20-28(34)25-18-16-22-30-26(25)24-33(37-30)31-27(19-17-21-29(31)35)32(36-3,38-33)23-15-13-11-9-7-5-2/h16-19,21-22,35H,4-15,20,23-24H2,1-3H3/t32-,33+/m1/s1

inchikey

  • YJXIKBMODFDOQS-SAIUNTKASA-N

mass

  • 522.726

monoisotopicmass

  • 522.33452

smiles

  • O=C(C1=C2C(O[C@@]3(C2)O[C@](OC)(CCCCCCCC)C=4C3=C(O)C=CC4)=CC=C1)CCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • 1-[(1R,3S)-4-hydroxy-1-methoxy-1-octylspiro[2-benzouran-3,2'-3H-1-benzouran]-4'-yl]nonan-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218102

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