Lunatoic acid A

CAT: 0931-TN10453-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10453-02Size:50 mg

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CAS Number

65745-48-4

Target

Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Lunatoic acid A exhibits antifungal and antibacterial properties.

Smiles

O=C1C=2C(=CC(=O)[C@]1(OC([C@H](C[C@H](CC)C)C)=O)C)C=C(/C=C/C(O)=O)OC2

Molecular Formula

C21H24O7

Molecular Weight

388.411

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Lunatoic acid A

Lunatoic acid A has been reported in Curvularia lunata with data available.

CAS Number	65745-48-4
PubChem CID	6442700
IUPAC Name	(E)-3-[(7R)-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
Molecular Formula	C21H24O7
Molecular Weight	388.4
XLogP	3
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	28
Formal Charge	0
Complexity	828

SMILES

CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C(=O)C=C2C=C(OC=C2C1=O)/C=C/C(=O)O)C

InChI

InChI=1S/C21H24O7/c1-5-12(2)8-13(3)20(26)28-21(4)17(22)10-14-9-15(6-7-18(23)24)27-11-16(14)19(21)25/h6-7,9-13H,5,8H2,1-4H3,(H,23,24)/b7-6+/t12-,13-,21+/m0/s1

InChIKey

OLWIMRNZAPOZHB-XFZGZAFTSA-N

Chemical Structure

2D Structure

CAS: 65745-48-4

CID: 6442700

Formula: C21H24O7

MW: 388.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	388.15220310
Monoisotopic Mass	388.15220310
Topological Polar Surface Area	107 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	828
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Lunatoic acid A

Chemical Information

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