Macrocarpal D

CAT: 0804-HY-N3343-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N3343-01Size:1 mg

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Description

Macrocarpal D is a potent antibacterial agent. Macrocarpal D is a phloroglucinol dialdehyde diterpene derivatives that can be found in the leaves of Eucalyptus macrocarpa[1].

CAS Number

142647-71-0

Product Name Alternative

(-) -Macrocarpal D

UNSPSC

12352005

Target

Bacterial

Type

Natural Products

Related Pathways

Anti-infection

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/macrocarpal-d.html

Purity

95.0

Solubility

10 mM in DMSO

Smiles

OC1=C([C@H](CC(C)C)[C@@]2(C)CC[C@@]3([H])C2=C[C@H](C(C)(C)O)CC[C@H]3C)C(O)=C(C=O)C(O)=C1C=O

Molecular Formula

C28H40O6

Molecular Weight

472.61

References & Citations

[1]Yamakoshi Y, et al. Isolation and characterization of macrocarpals B--G antibacterial compounds from Eucalyptus macrocarpa. Biosci Biotechnol Biochem. 1992 Oct;56 (10) :1570-6.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Macrocarpal D

Macrocarpal D is a sesquiterpenoid.

CAS Number	142647-71-0
PubChem CID	454460
IUPAC Name	2,4,6-trihydroxy-5-[1-[7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3,3a,4,5,6,7-hexahydro-2H-azulen-1-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde
Molecular Formula	C28H40O6
Molecular Weight	472.6
XLogP	6.2
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	753

SMILES

CC1CCC(C=C2C1CCC2(C)C(CC(C)C)C3=C(C(=C(C(=C3O)C=O)O)C=O)O)C(C)(C)O

InChI

InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3

InChIKey

VUKIJLQDSQXHDI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142647-71-0

CID: 454460

Formula: C28H40O6

MW: 472.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	472.6
XLogP3	6.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	472.28248899
Monoisotopic Mass	472.28248899
Topological Polar Surface Area	115 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	753
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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HY-N3346-01	Macrocarpal A
HY-N3340-01	Macrocarpal I
HY-N3341	Macrocarpal H
HY-N3336	Macrocarpal N
HY-N3342	Macrocarpal E
HY-N3337-01	Macrocarpal L
HY-N7313	Macrocarpal O
HY-N3338	Macrocarpal K
HY-N3339-01	Macrocarpal J
HY-N3345-01	Macrocarpal B

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380742	Macrocarpal A
WIA89921-01	Macrocarpal N
EHA38853	Macrocarpal H
TN4475	Macrocarpal C
380751	Macrocarpal L
380748	Macrocarpal I
TBZ1584	Macrocarpal D
GTR19181110	Macrocarpal K
GTR19180340	Macrocarpal O
CS-BT-00423	Macrocarpal B

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Chemical Information

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