Dehydroglyasperin D

CAT: 0926-SVA88572-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-SVA88572-02Size:10 mg

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CAS Number

517885-72-2

MDL Number

MFCD28100620

Smiles

CC (=CCC1=C (C=C2C (=C1OC) C=C (CO2) C3=C (C=C (C=C3) O) O) OC) C

Molecular Formula

C22H24O5

Molecular Weight

368.4 g/mol

Controlled

Chemical Information

Dehydroglyasperin D

dehydroglyasperin d has been reported in Glycyrrhiza uralensis with data available.

CAS Number	517885-72-2
PubChem CID	10109594
IUPAC Name	4-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]benzene-1,3-diol
Molecular Formula	C22H24O5
Molecular Weight	368.4
XLogP	4.6
Topological Polar Surface Area	68.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	553

SMILES

CC(=CCC1=C(C=C2C(=C1OC)C=C(CO2)C3=C(C=C(C=C3)O)O)OC)C

InChI

InChI=1S/C22H24O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8-11,23-24H,7,12H2,1-4H3

InChIKey

QHJJASRUTXHRAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 517885-72-2

CID: 10109594

Formula: C22H24O5

MW: 368.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.4
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	368.16237386
Monoisotopic Mass	368.16237386
Topological Polar Surface Area	68.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	553
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZHA33135-01	Dehydroglyasperin C
SNA87755-01	D-Lys-D-Leu-D-Val-D-Phe-D-Phe-D-Ala trifluoroacetate
FA108406-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FA108403-01	H-D-Ala-D-Ala-D-Ala-D-Ala-D-Ala-OH
FC110132-01	H-Cys (NPys) -D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-D-Arg-NH2 trifluoroacetate salt
VAC-00149-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
FA108400-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
FF111356-01	Fmoc-D-Pro-D-Pro-D-Pro-D-Pro-OH
NLA84687-01	D-Arabinose-2-D
CDA58392-01	D-Arabinose-1-D

Catalog	Name
TMA0291-01	Dehydroglyasperin D
GTR19181695-01	Dehydroglyasperin C