Garcinone D

CAT: 0127-BUP00451-04Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP00451-04Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

107390-08-9

Purity

=98%

Smiles

COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O

Chemical Information

Garcinone D

Garcinone D is a member of xanthones.

CAS Number	107390-08-9
PubChem CID	5495926
IUPAC Name	1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Molecular Formula	C24H28O7
Molecular Weight	428.5
XLogP	4.9
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	671

SMILES

CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C

InChI

InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3

InChIKey

TYALNCRUIKOKGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107390-08-9

CID: 5495926

Formula: C24H28O7

MW: 428.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	4.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	428.18350323
Monoisotopic Mass	428.18350323
Topological Polar Surface Area	116 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	671
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
BUP20298-01	Garcinone C
OR1060895-01	D-Phenylalanyl-D-phenylalanyl-D-phenylalanine
OR1031100-01	D-Ala-D-Ala
BUP23044-01	D-γ-Glutamyl-D-glutamic acid
BICL2303-01	3-O-ß-D-Galactopyranosyl-D-galactose
BICL2306-01	3-O-ß-D-Glucopyranuronosyl-D-xylose
OR1048380-01	((Benzyloxy) carbonyl) -D-prolyl-D-proline
BICL2297-01	2-O-ß-D-Galactopyranosyl-D-galactose
BICL2305-01	6''-O- (a-D-Galactopyranosyl) -D-maltotriose
OR1102794-01	6-O-β-D-Galactopyranosyl-D-galactose