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Home > Aldehydes > 158761-02-5
158761-02-5 | 1H-Naphtho[1,8a-c]furan-4-carboxaldehyde, 3,3a,6,6a,7,8,9,10-octahydro-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-, (3S,3aS,6aS,9S,10R,10aR)-
CAS No: 158761-02-5 Catalog No: AG001QV3 MDL No:
Product Description
Catalog Number:
AG001QV3
Chemical Name:
1H-Naphtho[1,8a-c]furan-4-carboxaldehyde, 3,3a,6,6a,7,8,9,10-octahydro-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-, (3S,3aS,6aS,9S,10R,10aR)-
CAS Number:
158761-02-5
Molecular Formula:
C15H20O6
Molecular Weight:
296.3157
IUPAC Name:
(3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-4-carbaldehyde
InChI:
InChI=1S/C15H20O6/c1-14(2)5-8(17)11(18)15-9(14)4-3-7(6-16)10(15)12(19)21-13(15)20/h3,6,8-12,17-19H,4-5H2,1-2H3/t8-,9-,10+,11-,12-,15+/m0/s1
InChI Key:
FCQQCKZJCMQQPN-DKCZEEBHSA-N
SMILES:
O=CC1=CC[C@@H]2[C@@]3([C@H]1[C@@H](O)OC3=O)[C@@H](O)[C@H](CC2(C)C)O
NSC Number:
676839
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
296.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.319g/mol
Monoisotopic Mass:
296.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| The mniopetals, new inhibitors of reverse transcriptases from a Mniopetalum species (Basidiomycetes). I. Producing organism, fermentation, isolation and biological activities. | The Journal of antibiotics 19940701 |
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