Primary Record
Simplexoside
- In stock
- 7,045 g
- Purity
- 99.6 %
- CAS
- 74061-78-2
Compound Identifiers & Properties
- CAS
- 74061-78-2
- PubChem CID
- 443020
- SMILES
- COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
- Canonical SMILES
- COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Names & Synonyms
- Simplexoside
- AC1L9DVN
- piperitol-4-O-glucoside
- CHEBI:9149
- CHEMBL2442734
- DTXSID70332042
- CID443020
- C10885
- 74061-78-2
- J2.781.946J
- Q27108290
- (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
- (2S,3R,4S,5S,6R)-2-{4-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- 4-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl beta-D-glucopyranoside
- 4-[(1S,3aR,4S,6aR)-4-(2H-1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl beta-D-glucopyranoside