Primary Record
Excoecariatoxin
- In stock
- 3,716 g
- Purity
- 99.7 %
- CAS
- 92219-48-2
Compound Identifiers & Properties
- CAS
- 92219-48-2
- PubChem CID
- 5281400
- SMILES
- CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
- Canonical SMILES
- C=C(C)[C@]12C[C@@H](C)[C@@]34OC(/C=C/C=C/CCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2
Names & Synonyms
- Excoecariatoxin
- Terpenoid EA-I
- CHEBI:9456
- SCHEMBL30205840
- C30-H40-O8
- CID5281400
- 22,23,24,25-Tetradehydro-simplexin
- BRN 1673846
- Simplexin, 22,23,24,25-tetradehydro-
- C09198
- Q27108400
- 92219-48-2
- (1R,2R,6S,7S,8R,10S,11S,12R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
- dihydroxy-(hydroxymethyl)-isopropenyl-dimethyl-[(1E,3E)-nona-1,3-dienyl][?]one
- (2R,6S,7S,8R,10S,11S,12R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one