Dehydroglyasperin C

CAT: 0926-ZHA33135-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ZHA33135-02Size:25 mg

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CAS Number

199331-35-6

MDL Number

MFCD28385957

Smiles

CC (=CCC1=C (C2=C (C=C1O) OCC (=C2) C3=C (C=C (C=C3) O) O) OC) C

Molecular Formula

C21H22O5

Molecular Weight

354.4 g/mol

Controlled

Chemical Information

Dehydroglyasperin C

dehydroglyasperin c has been reported in Glycyrrhiza uralensis and Glycyrrhiza aspera with data available.

CAS Number	199331-35-6
PubChem CID	480775
IUPAC Name	4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]benzene-1,3-diol
Molecular Formula	C21H22O5
Molecular Weight	354.4
XLogP	4.3
Topological Polar Surface Area	79.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	539

SMILES

CC(=CCC1=C(C2=C(C=C1O)OCC(=C2)C3=C(C=C(C=C3)O)O)OC)C

InChI

InChI=1S/C21H22O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7-10,22-24H,6,11H2,1-3H3

InChIKey

UACNRZUVCUEUPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199331-35-6

CID: 480775

Formula: C21H22O5

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	354.14672380
Monoisotopic Mass	354.14672380
Topological Polar Surface Area	79.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	539
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
SVA88572-01	Dehydroglyasperin D
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
THC42184-01	Nemoralisin C
TEA52537-01	Sagittatoside C
YEA70294-01	Kuwanol C
YAA37016-01	Chrysosplenol C
XM175848-01	Malabaricone C
XLA74099-01	Nudifloside C

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