200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 173429-83-9
173429-83-9 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-, rel-(+)-
CAS No: 173429-83-9 Catalog No: AG001YVP MDL No:MFCD20260835
Product Description
Catalog Number:
AG001YVP
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-, rel-(+)-
CAS Number:
173429-83-9
Molecular Formula:
C25H24O5
Molecular Weight:
404.4551
MDL Number:
MFCD20260835
IUPAC Name:
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]chromen-4-one
InChI:
InChI=1S/C25H24O5/c1-13(2)17-9-4-14(3)10-18(17)22-20(27)11-21(28)23-24(29)19(12-30-25(22)23)15-5-7-16(26)8-6-15/h5-8,10-12,17-18,26-28H,1,4,9H2,2-3H3/t17-,18+/m0/s1
InChI Key:
LRYZMDSDXSWBMU-ZWKOTPCHSA-N
SMILES:
CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(O)cc(c2c1occ(c2=O)c1ccc(cc1)O)O
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
404.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
404.462g/mol
Monoisotopic Mass:
404.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.