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10037-26-0 | 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-, (1S,4aS,10aR)-
CAS No: 10037-26-0 Catalog No: AG0001RN MDL No:
Product Description
Catalog Number:
AG0001RN
Chemical Name:
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-, (1S,4aS,10aR)-
CAS Number:
10037-26-0
Molecular Formula:
C18H24O3
Molecular Weight:
288.3814
IUPAC Name:
(1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
InChI:
InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(19)20)15(17)8-6-12-5-7-13(21-3)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3,(H,19,20)/t15-,17-,18+/m1/s1
InChI Key:
WEGOBZDECLEAOK-NXHRZFHOSA-N
SMILES:
COc1ccc2c(c1)[C@@]1(C)CCC[C@]([C@@H]1CC2)(C)C(=O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
288.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Design, synthesis and characterization of podocarpate derivatives as openers of BK channels. | Bioorganic & medicinal chemistry letters 20081001 |
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