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87440-56-0 | (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one
CAS No: 87440-56-0 Catalog No: AG004MD3 MDL No:MFCD26406080
Product Description
Catalog Number:
AG004MD3
Chemical Name:
(2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-chroman-4-one
CAS Number:
87440-56-0
Molecular Formula:
C20H20O5
Molecular Weight:
340.3698
MDL Number:
MFCD26406080
IUPAC Name:
(2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,18-19,21-22,24H,9H2,1-2H3/t18-,19+/m0/s1
InChI Key:
ATJOIGKHVRPLSM-RBUKOAKNSA-N
SMILES:
CC(=CCc1c(O)cc(c2c1O[C@H](c1ccccc1)[C@H](C2=O)O)O)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
340.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.375g/mol
Monoisotopic Mass:
340.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Isolation of an anti-HIV diprenylated bibenzyl from Glycyrrhiza lepidota. | Phytochemistry 20010901 |
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