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159736-40-0 | 3H,5H-3a,8a-Methano-1H-indeno[5,6-c]furan-4-carboxaldehyde,6,7,7a,8-tetrahydro-3-hydroxy-6,6-dimethyl-1-oxo-, (3R,3aS,7aS,8aS)- (9CI)
CAS No: 159736-40-0 Catalog No: AG007W7P MDL No:
Product Description
Catalog Number:
AG007W7P
Chemical Name:
3H,5H-3a,8a-Methano-1H-indeno[5,6-c]furan-4-carboxaldehyde,6,7,7a,8-tetrahydro-3-hydroxy-6,6-dimethyl-1-oxo-, (3R,3aS,7aS,8aS)- (9CI)
CAS Number:
159736-40-0
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
(1S,7S,9S,12R)-12-hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-carbaldehyde
InChI:
InChI=1S/C15H18O4/c1-13(2)3-8-4-14-7-15(14,12(18)19-11(14)17)10(6-16)9(8)5-13/h6,8,12,18H,3-5,7H2,1-2H3/t8-,12+,14+,15+/m0/s1
InChI Key:
ALQBGFIXBVZYPH-AZEZGGBOSA-N
SMILES:
O=CC1=C2CC(C[C@H]2C[C@@]23[C@@]1(C2)C(O)OC3=O)(C)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Hyphodontal, a new antifungal inhibitor of reverse transcriptases from Hyphodontia sp. (Corticiaceae, Basidiomycetes). | Zeitschrift fur Naturforschung. C, Journal of biosciences 19940101 |
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