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Mammea E/BA

CAT: 0013-GTR19277863-02Size: 3 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277863-02Size:3 mg
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Description
Mammea E/BA is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
111321-13-2
Smiles
CCC (OC (C) =O) C1=CC (=O) OC2=C1C (O) =C (CC=C (C) C) C (O) =C2C (=O) CC (C) C
Molecular Formula
C24H30O7
Molecular Weight
430.5
Notes
For research use only.

Chemical Information

Mammea E/BA

Mammea E/BA is a hydroxycoumarin.

CAS Number111321-13-2
PubChem CID11517592
IUPAC Name1-[5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-2-oxochromen-4-yl]propyl acetate
Molecular FormulaC24H30O7
Molecular Weight430.5
XLogP4.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity747
SMILES
CCC(C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)OC(=O)C
InChI
InChI=1S/C24H30O7/c1-7-18(30-14(6)25)16-11-19(27)31-24-20(16)22(28)15(9-8-12(2)3)23(29)21(24)17(26)10-13(4)5/h8,11,13,18,28-29H,7,9-10H2,1-6H3
InChIKey
YOWZJSSQEMLPTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mammea E/BA
CAS: 111321-13-2
CID: 11517592
Formula: C24H30O7
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass430.19915329
Monoisotopic Mass430.19915329
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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