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1292766-21-2 | 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-2,2-dimethyl-
CAS No: 1292766-21-2 Catalog No: AG000Z0K MDL No:MFCD20275019
Product Description
Catalog Number:
AG000Z0K
Chemical Name:
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-2,2-dimethyl-
CAS Number:
1292766-21-2
Molecular Formula:
C26H28O7
Molecular Weight:
452.4963
MDL Number:
MFCD20275019
IUPAC Name:
7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
InChI:
InChI=1S/C26H28O7/c1-25(2)9-8-16-10-17-21(12-20(16)33-25)31-13-18(24(17)28)15-6-7-19(22(11-15)30-5)32-14-23(27)26(3,4)29/h6-13,23,27,29H,14H2,1-5H3/t23-/m1/s1
InChI Key:
RDXLWAJRBPKMPD-HSZRJFAPSA-N
SMILES:
COc1cc(ccc1OC[C@H](C(O)(C)C)O)c1coc2c(c1=O)cc1c(c2)OC(C=C1)(C)C
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
452.184g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.503g/mol
Monoisotopic Mass:
452.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Pierreiones A-D, solid tumor selective pyranoisoflavones and other cytotoxic constituents from Antheroporum pierrei. | Journal of natural products 20110425 |
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