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16772-63-7 | Naphtho[1,2-c]furan-3(1H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-5,9b-dihydroxy-6,6,9a-trimethyl-, (5R,5aS,9aS,9bS)-
CAS No: 16772-63-7 Catalog No: AG001XKE MDL No:
Product Description
Catalog Number:
AG001XKE
Chemical Name:
Naphtho[1,2-c]furan-3(1H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-5,9b-dihydroxy-6,6,9a-trimethyl-, (5R,5aS,9aS,9bS)-
CAS Number:
16772-63-7
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
(5R,5aS,9aS,9bS)-5,9b-dihydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
InChI:
InChI=1S/C15H22O4/c1-13(2)5-4-6-14(3)11(13)10(16)7-9-12(17)19-8-15(9,14)18/h7,10-11,16,18H,4-6,8H2,1-3H3/t10-,11+,14+,15-/m1/s1
InChI Key:
HLEGAPKZEJEXHT-FDRIWYBQSA-N
SMILES:
O[C@@H]1C=C2C(=O)OC[C@@]2([C@@]2([C@@H]1C(C)(C)CCC2)C)O
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Secondary metabolites of Cinnamosma madagascariensis and their alpha-glucosidase inhibitory properties. | Journal of natural products 20080101 |
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