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Bicyclo(4.3.1)dec-7-ene-7-carboxaldehyde, 4,10-bis(acetyloxy)-5-((1R)-1,5-dimethyl-4-hexenyl)-2-methylene-, (1S,4R,5S,6S,10R)-

HCID 158690
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Basic information

CAS
84667-04-9
Standard SMILES
C=C1C[C@@H](OC(C)=O)[C@@H](C(C)CCC=C(C)C)[C@H]2C(C=O)=CC[C@H]1[C@H]2OC(C)=O
InChIKey
CGDIUXZRULKLSB-ZAQSNBSASA-N
Molecular formula
C24H34O5
Average molar mass
402.5 g/mol
Monoisotopic mass
402.24062418

Names & identifiers

Preferred name
Bicyclo(4.3.1)dec-7-ene-7-carboxaldehyde, 4,10-bis(acetyloxy)-5-((1R)-1,5-dimethyl-4-hexenyl)-2-methylene-, (1S,4R,5S,6S,10R)-
IUPAC
[(1S,2S,3R,6R,10R)-10-acetyloxy-9-formyl-2-(6-methylhept-5-en-2-yl)-5-methylidene-3-bicyclo[4.3.1]dec-8-enyl] acetate
English name
(1R,6R,10S)-4α,10-Bis(acetyloxy)-5α-[(S)-1,5-dimethyl-4-hexenyl]-2-methylenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde
Molecular formula
C24H34O5
Molecular weight
402.52

Names & synonyms

84667-04-9Bicyclo(4.3.1)dec-7-ene-7-carboxaldehyde, 4,10-bis(acetyloxy)-5-((1R)-1,5-dimethyl-4-hexenyl)-2-methylene-, (1S,4R,5S,6S,10R)-DTXSID901004951(1R,6R,10S)-4alpha,10-Bis(acetyloxy)-5alpha-[(S)-1,5-dimethyl-4-hexenyl]-2-methylenebicyclo[4.3.1]dec-7-ene-7-carbaldehyde(1S,2S,3R,6R,10R)-9-Formyl-2-(6-methylhept-5-en-2-yl)-5-methylidenebicyclo[4.3.1]dec-8-ene-3,10-diyl diacetate9-Formyl-2-(6-methylhept-5-en-2-yl)-5-methylidenebicyclo[4.3.1]dec-8-ene-3,10-diyl diacetateFukurinal(1R,6R,10S)-4α,10-Bis(acetyloxy)-5α-[(S)-1,5-dimethyl-4-hexenyl]-2-methylenebicyclo[4.3.1]dec-7-ene-7-carbaldehydeBicyclo[4.3.1]dec-7-ene-7-carboxaldehyde, 4,10-bis(acetyloxy)-5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methylene-, (1S,4R,5S,6S,10R)-

Database identifiers

CAS
84667-04-9
PubChem CID
158690
DTXSID
DTXSID901004951

Properties

Computed structural propertiesFilling in

XLogP
4.4
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
29
Formal charge
0
Complexity
713

Physicochemical properties

Boiling point
490.9 · 490.9±45.0 °C(Predicted)
Density
1.07 · 1.07±0.1 g/cm3(Predicted)

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