Kadsutherin G

CAT: 0931-TN8149-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN8149-01Size:10 mg

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CAS Number

2692637-23-1

Bioactivity

Kadsutherin G (compound 3), a lignin derived from Kadsura, exhibits a 33.1% inhibition of adenosine diphosphate (ADP) -induced platelet aggregation.

Smiles

O(C)C=1[C@]23C=4C(OC2)=C5C(=CC4[C@H](OC(=O)C6=CC=CC=C6)[C@H](C)[C@@H](C)[C@H](O)C3=CC(=O)C1OC)OCO5

Molecular Formula

C29H28O9

Molecular Weight

520.53

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Kadsutherin G

CAS Number	2692637-23-1
PubChem CID	171902140
IUPAC Name	[(1R,12R,13R,14R,15S)-15-hydroxy-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] benzoate
Molecular Formula	C29H28O9
Molecular Weight	520.5
XLogP	3.4
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	38
Formal Charge	0
Complexity	1030

SMILES

C[C@@H]1[C@H]([C@H](C2=CC3=C(C4=C2[C@@]5(CO4)C(=CC(=O)C(=C5OC)OC)[C@H]1O)OCO3)OC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C29H28O9/c1-14-15(2)23(38-28(32)16-8-6-5-7-9-16)17-10-20-25(37-13-36-20)26-21(17)29(12-35-26)18(22(14)31)11-19(30)24(33-3)27(29)34-4/h5-11,14-15,22-23,31H,12-13H2,1-4H3/t14-,15-,22+,23-,29-/m1/s1

InChIKey

VJLSNDIUPPGKCA-QSIPLXPBSA-N

Chemical Structure

2D Structure

CAS: 2692637-23-1

CID: 171902140

Formula: C29H28O9

MW: 520.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	520.5
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	520.17333247
Monoisotopic Mass	520.17333247
Topological Polar Surface Area	110 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1030
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-N13135-01	Kadsutherin G
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Kadsutherin G

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