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Concept information

Preferred term

(z)-guggulsterone  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28O2

inchi

  • InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1

inchikey

  • WDXRGPWQVHZTQJ-OSJVMJFVSA-N

mass

  • 312.453

monoisotopicmass

  • 312.20893

smiles

  • O=C/1C[C@]2([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)C)(CC[C@@]2(/C1=C/C)C)[H])[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (1Z,3aS,3bR,9aR,9bS,11aS)-1-ethylidene-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,7-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229515

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