Cryptoacetalide
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Basic information
- CAS
132059-23-5- Standard SMILES
C[C@H]1CO[C@@]2(C1)OC(=O)c1c2ccc2c1CCCC2(C)C- InChIKey
HUTQFIYQAWCICW-ZMZPIMSZSA-N- Molecular formula
- C18H22O3
- Average molar mass
- 286.4 g/mol
Overview
Cryptoacetalide has been reported in Salvia miltiorrhiza, Salvia glutinosa, and Salvia przewalskii with data available.
Names & identifiers
- Preferred name
- Cryptoacetalide
- IUPAC
- (3S,4'R)-4',6,6-trimethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-one
- English name
- Cryptoacetalide
- Molecular formula
- C18H22O3
- Molecular weight
- 286.37
Names & synonyms
CryptoacetalideRefChem:919224(3S,4'R)-4',6,6-trimethylspiro(8,9-dihydro-7H-benzo(g)(2)benzofuran-3,2'-oxolane)-1-one132059-23-5orb1990837AKOS040736010FS-7552T126056(2S,4R)-4,6',6'-Trimethyl-4,5,6',7',8',9'-hexahydro-1'H,3H-spiro[furan-2,3'-naphtho[1,2-c]furan]-1'-one(3S,4'R)-4',6,6-trimethylspiro[8,9-dihydro-7H-benzo[g][2]benzofuran-3,2'-oxolane]-1-oneSpiro[furan-2(3H),3'(1'H)-naphtho[1,2-c]furan]-1'-one, 4,5,6',7',8',9'-hexahydro-4,6',6'-trimethyl-, (2S,4R)-
Database identifiers
- CAS
132059-23-5- Nikkaji
- J2.865.722F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 464.9 · 464.9±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
Chemistry & industry
Applications
DescriptionCryptoacetalide is a natural product from Salvia miltiorrhiza.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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