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102490-65-3 | 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2R,3S)-
CAS No: 102490-65-3 Catalog No: AG0007KT MDL No:
Product Description
Catalog Number:
AG0007KT
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2R,3S)-
CAS Number:
102490-65-3
Molecular Formula:
C26H30O7
Molecular Weight:
454.5122
IUPAC Name:
2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C26H30O7/c1-13(2)6-7-15(14(3)4)10-18-20(29)12-21(32-5)22-23(30)24(31)26(33-25(18)22)17-9-8-16(27)11-19(17)28/h6,8-9,11-12,15,24,26-29,31H,3,7,10H2,1-2,4-5H3
InChI Key:
QKEDJCCCNZWOBS-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(c2c1C(=O)[C@@H](O)[C@H](O2)c1ccc(cc1O)O)C[C@H](C(=C)C)CC=C(C)C
NSC Number:
668937
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.199g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
454.519g/mol
Monoisotopic Mass:
454.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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