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Concept information

Preferred term

لیوانسترول بی  

Type

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

Broader concept

charge

  • 0

formula

  • C29H46O4

has_parent_hydride

inchi

  • InChI=1S/C29H46O4/c1-7-19(17(2)3)9-8-18(4)22-16-24(32)25-26-23(31)15-20-14-21(30)10-11-28(20,6)29(26,33)13-12-27(22,25)5/h8-9,17-22,24,30,32-33H,7,10-16H2,1-6H3/b9-8+/t18-,19-,20-,21+,22-,24+,27-,28+,29-/m1/s1

inchikey

  • BIDNVTVZCOKKAF-FAGXQHCLSA-N

mass

  • 458.683

monoisotopicmass

  • 458.33961

smiles

  • O=C1C2=C3[C@@]([C@@H]([C@@H](/C=C/[C@H](C(C)C)CC)C)C[C@@H]3O)(CC[C@]2(O)[C@]4(CC[C@@H](C[C@@H]4C1)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,9S,10S,13R,15S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3,9,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206387

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