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151345-10-7 | 2H-Benzo[a]xanthene-9,10-dione, 1,3,4,4a,5,6,6a,12b-octahydro-4,4,6a,12b-tetramethyl-, (4aS,6aS,12bS)-
CAS No: 151345-10-7 Catalog No: AG001NAS MDL No:
Product Description
Catalog Number:
AG001NAS
Chemical Name:
2H-Benzo[a]xanthene-9,10-dione, 1,3,4,4a,5,6,6a,12b-octahydro-4,4,6a,12b-tetramethyl-, (4aS,6aS,12bS)-
CAS Number:
151345-10-7
Molecular Formula:
C21H26O3
Molecular Weight:
326.4293
IUPAC Name:
(4aS,6aS,12bS)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6-hexahydrobenzo[a]xanthene-9,10-dione
InChI:
InChI=1S/C21H26O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17H,5-9H2,1-4H3/t17-,20-,21-/m0/s1
InChI Key:
QLFLHSQZFRDPFM-YYWHXJBOSA-N
SMILES:
O=C1C=C2O[C@@]3(C)CC[C@@H]4[C@](C3=CC2=CC1=O)(C)CCCC4(C)C
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
326.188g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.436g/mol
Monoisotopic Mass:
326.188g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Using enzyme assays to evaluate the structure and bioactivity of sponge-derived meroterpenes. | Journal of natural products 20091001 |
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