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876384-53-1 | (+)-Angelmarin
CAS No: 876384-53-1 Catalog No: AG004HV5 MDL No:
Product Description
Catalog Number:
AG004HV5
Chemical Name:
(+)-Angelmarin
CAS Number:
876384-53-1
Molecular Formula:
C23H20O6
Molecular Weight:
392.4013
IUPAC Name:
2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C23H20O6/c1-23(2,29-21(26)11-5-14-3-8-16(24)9-4-14)19-13-17-18(27-19)10-6-15-7-12-20(25)28-22(15)17/h3-12,19,24H,13H2,1-2H3/b11-5+/t19-/m0/s1
InChI Key:
YPULLITUOWRRPG-RXERPNITSA-N
SMILES:
O=C(OC([C@H]1Oc2c(C1)c1oc(=O)ccc1cc2)(C)C)/C=C/c1ccc(cc1)O
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
392.126g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.407g/mol
Monoisotopic Mass:
392.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Pancreatic anticancer activity of a novel geranylgeranylated coumarin derivative. | Bioorganic & medicinal chemistry letters 20111001 |
| Highly enantioselective synthesis of angelmarin. | Organic & biomolecular chemistry 20091021 |
| Total synthesis of (+)-angelmarin. | The Journal of organic chemistry 20090717 |
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