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Concept information

Preferred term

تیروکالول  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O

inchi

  • InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1

inchikey

  • CAHGCLMLTWQZNJ-HGKXYCPESA-N

mass

  • 426.729

monoisotopicmass

  • 426.38617

smiles

  • O[C@@H]1C([C@]2([C@@](C3=C([C@@]4([C@]([C@@](CC4)([C@H](CCC=C(C)C)C)[H])(CC3)C)C)CC2)(CC1)C)[H])(C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175463

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