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Basic information
- CAS
51292-61-6- Standard SMILES
CCC(C)C(=O)O[C@H]1CC(=O)[C@@]2(C)C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@]3(O)CO- InChIKey
SMAJXKLVHWNBRU-QTTWJULZSA-N- Molecular formula
- C20H30O7
- Average molar mass
- 382.453 g/mol
- Monoisotopic mass
- 382.1991533
Names & identifiers
- Preferred name
- 3-Hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 2-methylbutanoate
- IUPAC
- (3R,3aS,4aS,7S,7aS,8R,9aR)-3-Hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 2-methylbutanoate
- English name
- (R)-2-Methylbutanoic acid (3R,3aα,7aα,9aα)-dodecahydro-3-hydroxy-3-hydroxymethyl-4aβ,8α-dimethyl-2,5-dioxoazuleno[6,5-b]furan-7α-yl ester
- Molecular formula
- C20H30O7
- Molecular weight
- 382.45
Names & synonyms
Florigrandin(R)-2-Methylbutanoic acid (3R,3aα,7aα,9aα)-dodecahydro-3-hydroxy-3-hydroxymethyl-4aβ,8α-dimethyl-2,5-dioxoazuleno[6,5-b]furan-7α-yl esterButanoic acid, 2-methyl-, (3R,3aS,4aS,7S,7aS,8R,9aR)-dodecahydro-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxoazuleno[6,5-b]furan-7-yl ester, (2R)-
Database identifiers
- CAS
51292-61-6- PubChem CID
- 216331
- DTXSID
DTXSID60965585
Properties
Physicochemical properties
- Boiling point
- 513.876 · 513.876±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.261 · 1.261±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.912 · 11.912±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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