Chemical Compound

Debromoaplysiatoxin

CAS Registry Number 52423-28-6
Debromoaplysiatoxin chemical structure
Primary Record

Debromoaplysiatoxin

In stock
9,467 g
Purity
98.8 %
CAS
52423-28-6

Compound Identifiers & Properties

CAS
52423-28-6
PubChem CID
5352033
SMILES
C[C@@H]1CC([C@@]23C[C@@H]([C@@H]([C@H](O2)[C@@H](C)CC[C@@H](C4=CC(=CC=C4)O)OC)C)OC(=O)C[C@@H](OC(=O)C[C@@]1(O3)O)[C@@H](C)O)(C)C
Canonical SMILES
CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1

Names & Synonyms

  • Debromoaplysiatoxin
  • 17-debromoaplysiatoxin
  • Bromopride hydrochloride
  • Aplysiatoxin, 17-debromo-
  • RefChem:919719
  • CHEMBL2148106
  • CHEBI:4344
  • SCHEMBL22736825
  • SCHEMBL29358340
  • DTXSID80880084
  • DTXCID501748991
  • BDBM50391386
  • NSC271679
  • CID5352033
  • NSC 271679
  • BRN 4624539
  • C32-H48-O10
  • J10.963K
  • HY-127082
  • 52423-28-6
  • G-2408
  • (1S,3R,4S,5S,9R,13S,14R)-13-hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione
  • (1R,13S,14R)-13-hydroxy-9-(1-hydroxyethyl)-3-(5-(3-hydroxyphenyl)-5-methoxypentan-2-yl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo(11.3.1.11,5)octadecane-7,11-dione
  • (1S,3R,4S,5S,9R,13S,14R)-13-hydroxy-9-((1R)-1-hydroxyethyl)-3-((2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo(11.3.1.11,5)octadecane-7,11-dione
  • (1S,3R,4S,5S,9R,13S,14R)-13-Hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,?]octadecane-7,11-dione
  • hydroxy-[(1R)-1-hydroxyethyl]-[(1S,4S)-4-(3-hydroxyphenyl)-4-methoxy-1-methyl-butyl]-tetramethyl-[?]dione