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Concept information

Preferred term

(5z,7e)-(1s,3r)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C22H34O2

inchi

  • InChI=1S/C22H34O2/c1-14(2)19-9-10-20-16(6-5-11-22(19,20)4)7-8-17-12-18(23)13-21(24)15(17)3/h7-8,14,18-21,23-24H,3,5-6,9-13H2,1-2,4H3/b16-7+,17-8-/t18-,19-,20+,21+,22-/m1/s1

inchikey

  • FTIWWARZYHBTPV-DQXASFFISA-N

mass

  • 330.512

monoisotopicmass

  • 330.25588

smiles

  • O[C@@H]1C/C(=C/C=C/2/[C@]3([C@@]([C@H](CC3)C(C)C)(CCC2)C)[H])/C([C@@H](O)C1)=C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173055

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