skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organic peroxide > 5alpha,8alpha-epidioxysterol

Preferred term

5alpha,8alpha-epidioxysterol  

Type

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

charge

  • 0

formula

  • C29H46O3

inchi

  • InChI=1S/C29H46O3/c1-17(2)18(3)21-15-22(21)19(4)23-7-8-24-26(23,5)11-10-25-27(6)12-9-20(30)16-28(27)13-14-29(24,25)32-31-28/h13-14,17-25,30H,7-12,15-16H2,1-6H3/t18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1

inchikey

  • FYNMKNFAKCHMLL-PPXWZDJSSA-N

mass

  • 442.67370

monoisotopicmass

  • 442.34470

smiles

  • [H][C@@]1(C[C@]1([H])[C@@H](C)[C@@]1([H])CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)C(C)C

subset

  • 3_STAR

synonym EXACT

  • (3S,5S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(1R)-1-{(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl}ethyl]-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65853

Download this concept: