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Home > Aldehydes > 106973-16-4
106973-16-4 | 2H-Pyran-3-carboxaldehyde,4-methoxy-6-[(1R,2R,4aS,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl]-2-oxo-
CAS No: 106973-16-4 Catalog No: AG0082QY MDL No:
Product Description
Catalog Number:
AG0082QY
Chemical Name:
2H-Pyran-3-carboxaldehyde,4-methoxy-6-[(1R,2R,4aS,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl]-2-oxo-
CAS Number:
106973-16-4
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
IUPAC Name:
6-[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde
InChI:
InChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13-,17-/m1/s1
InChI Key:
AWQLNKJBXASXDU-IPJQOSJUSA-N
SMILES:
COc1cc(oc(=O)c1C=O)[C@@H]1[C@H](C)C=C[C@H]2[C@H]1CCCC2
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Solanapyrone synthase, a possible Diels-Alderase and iterative type I polyketide synthase encoded in a biosynthetic gene cluster from Alternaria solani. | Chembiochem : a European journal of chemical biology 20100614 |
| The effect of solanapyrone a produced by Ascochyta rabiei on seed germination and the elongation of radicles and hypocotyls of chickpea (Cicer areitinum L.). | Communications in agricultural and applied biological sciences 20040101 |
| First total syntheses of the phytotoxins solanapyrones D and E via the domino Michael protocol. | The Journal of organic chemistry 20020823 |
| Diels-Alderases. | Chembiochem : a European journal of chemical biology 20011203 |
| Enzymatic activity and partial purification of solanapyrone synthase: first enzyme catalyzing Diels-Alder reaction. | Biochimica et biophysica acta 19980519 |
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