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Basic information
- CAS
155656-95-4- Standard SMILES
CC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(CO)C3O)C21- InChIKey
AMVJBPWDFCUNOH-UHFFFAOYSA-N- Molecular formula
- C21H32O14
- Average molar mass
- 508.473 g/mol
- Monoisotopic mass
- 508.1792057
Names & identifiers
- Preferred name
- 1-({2-O-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
- IUPAC
- 1-({2-O-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranosyl}oxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
- English name
- inerminoside A1
- Molecular formula
- C21H32O14
- Molecular weight
- 508.47
Names & synonyms
inerminoside A1Cyclopenta[c]pyran-4-carboxylic acid, 1-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S,4aS,7S,7aS)- (9CI)
Database identifiers
- CAS
155656-95-4- PubChem CID
- 190813
- DTXSID
DTXSID60935263
Properties
Physicochemical properties
- Boiling point
- 811.7 · 811.7±65.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 4.53 · 4.53±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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