Chemical Compound

Bruceine E

CAS Registry Number 21586-90-3
Bruceine E chemical structure
Primary Record

Bruceine E

In stock
7,288 g
Purity
99.6 %
CAS
21586-90-3

Compound Identifiers & Properties

CAS
21586-90-3
PubChem CID
5315510
SMILES
CC1=C[C@@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@]4([C@H](C(=O)O3)O)O)(OC5)C)O)O)C)O)O
Canonical SMILES
CC1=C[C@H](O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@]54O

Names & Synonyms

  • Bruceine E
  • bruceineE
  • RefChem:905678
  • 21586-90-3
  • orb1297540
  • CHEMBL2037038
  • HY-N3015
  • NP1578
  • AKOS040760152
  • EBC-617365
  • FS-6884
  • DA-61913
  • J34.226B
  • CS-0022970
  • FT-0777580
  • (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
  • (17|A)-3-oxo-2-(trifluoroacetyl)androst-4-en-17-yl acetate
  • 13,20-Epoxy-1beta,2alpha,11beta,12alpha,14,15beta-hexahydroxypicras-3-en-16-one
  • (1beta,2alpha,11beta,12alpha,15beta)-13,20-Epoxy-1,2,11,12,14,15-hexahydroxypicras-3-en-16-one
  • (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-en-4-one
  • (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-en-4-one
  • [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2-(2,2,2-trifluoroacetyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • Picras-3-en-16-one, 13,20-epoxy-1,2,11,12,14,15-hexahydroxy-, (1beta,2alpha,11beta,12alpha,15beta)-