Chemical Compound

Papulacandin B

CAS Registry Number 61032-80-2
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Papulacandin B chemical structure
Primary Record

Papulacandin B

In stock
1,035 g
Purity
99.8 %
CAS
61032-80-2

Compound Identifiers & Properties

CAS
61032-80-2
PubChem CID
6436198
SMILES
CCC(C)CC/C=C/C=C(\C)/C(C/C=C/C=C/C(=O)O[C@H]1[C@@H]([C@H](O[C@]2([C@@H]1O)C3=C(CO2)C=C(C=C3O)O)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)/C=C/C=C/C=C/C(CC)O)O)O)O)O
Canonical SMILES
CCC(O)/C=C/C=C/C=C/C(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/C=C/CC(O)/C(C)=C/C=C/CCC(C)CC)[C@@H](O)[C@@]3(OCc4cc(O)cc(O)c43)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O

Names & Synonyms

  • Papulacandin B
  • RefChem:928575
  • AC1O5L9E
  • CHEMBL448981
  • DTXSID001027536
  • SCHEMBL29386811
  • A-32283-B
  • C47H64O17
  • CHEBI:569624
  • UJLFRJFJTPPIOK-DOERTBJDSA-N
  • DTXCID401765477
  • BBF-02359
  • CID6436198
  • 61032-80-2
  • C47-H64-O17
  • LS-71460
  • [(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
  • Q7133221
  • alpha-D-Glucopyranose, 1,16-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)
  • D-Glucopyranose, 1,1(sup 6)-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)
  • (1S,3'R,4'R,5'R,6'R)-3',5,7-trihydroxy-5'-((6-O-((2E,4Z,6E)-8-hydroxydeca-2,4,6-trienoyl)-beta-D-galactopyranosyl)oxy)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro(2-benzofuran-1,2'-pyran)-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
  • .alpha.-D-Glucopyranose, 1,16-anhydro-1-C-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-4-O-[6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-.beta.-D-galactopyranosyl]-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)
  • [(3S,3'R,4'R,5'R,6'R)-3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2E,4E,6E)-8-hydroxydeca-2,4,6-trienoyl]oxymethyl]tetrahydropyran-2-yl]oxy-spiro[1H-isobenzofuran-3,2'-tetrahydropyran]-4'-yl] (2E,4E,8E,10E)-7-hydroxy-8,14-dimethyl-hexadeca-2,4,8,10-tetraenoate
  • [3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[3,4,5-trihydroxy-6-(8-hydroxydeca-2,4,6-trienoyloxymethyl)oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] 7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
  • D-Glucopyranose, 1,16-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)