Corylidin

CAT: 0013-GTR19277917-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19277917-02Size:2 mg

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Description

Corylidin is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.

CAS Number

63109-31-9

Smiles

CC1 (C) OC2=C (C=C3C4=C (C5=CC=C (O) C=C5O4) C (=O) OC3=C2) C (O) C1O

Molecular Formula

C20H16O7

Molecular Weight

368.34

Notes

For research use only.

Chemical Information

Corylidin

Corylidin is a member of coumestans.

CAS Number	63109-31-9
PubChem CID	5316096
IUPAC Name	6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one
Molecular Formula	C20H16O7
Molecular Weight	368.3
XLogP	2
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	27
Formal Charge	0
Complexity	621

SMILES

CC1(C(C(C2=C(O1)C=C3C(=C2)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)O)O)C

InChI

InChI=1S/C20H16O7/c1-20(2)18(23)16(22)10-6-11-13(7-14(10)27-20)26-19(24)15-9-4-3-8(21)5-12(9)25-17(11)15/h3-7,16,18,21-23H,1-2H3

InChIKey

QYJUEWQOEZPDIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63109-31-9

CID: 5316096

Formula: C20H16O7

MW: 368.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.3
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	368.08960285
Monoisotopic Mass	368.08960285
Topological Polar Surface Area	109 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	621
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19167862-01	Corylin
GTR19158548-01	Corylin