Kansuinine A

CAT: 0931-TN4379-04Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-TN4379-04Size:1 mL - 10 mM (in DMSO)

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

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CAS Number

57701-86-7

Target

Interleukin, IL Receptor, STAT

Related Pathways

JAK/STAT signaling, Immunology/Inflammation, Stem Cells

Purity

0.9928

Bioactivity

Kansuinine A, a 95% ethanol extract from the roots of E. kansui, possesses an inhibitory effect on IL-6-induced Stat3 activation by activating ERK1/2.

Smiles

[H][C@]12O[C@](O)([C@H](C)C1=O)[C@]1(C[C@H](C)[C@H](OC(C)=O)[C@]1([H])[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(C)=O)C2(C)C)OC(C)=O

Molecular Formula

C37H46O15

Molecular Weight

730.75

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Kansuinin A

Kansuinin A has been reported in Euphorbia kansui with data available.

CAS Number	57701-86-7
PubChem CID	11366139
IUPAC Name	[(1R,2R,4S,5S,6R,7R,9S,10S,11S,13R,15R)-2,5,7,9,11-pentaacetyloxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-16-oxatricyclo[11.2.1.02,6]hexadecan-10-yl] benzoate
Molecular Formula	C37H46O15
Molecular Weight	730.8
XLogP	2.9
Topological Polar Surface Area	204
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	13
Heavy Atom Count	52
Formal Charge	0
Complexity	1480

SMILES

C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H](C(=C)[C@@H]([C@H]([C@H](C([C@@H]3C(=O)[C@H]([C@]2(O3)O)C)(C)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C37H46O15/c1-17-16-36(51-24(8)42)26(28(17)46-20(4)38)29(47-21(5)39)18(2)30(48-22(6)40)31(50-34(44)25-14-12-11-13-15-25)33(49-23(7)41)35(9,10)32-27(43)19(3)37(36,45)52-32/h11-15,17,19,26,28-33,45H,2,16H2,1,3-10H3/t17-,19+,26+,28-,29-,30-,31+,32-,33+,36+,37+/m0/s1

InChIKey

VKHCUWUNVKZFBM-PNKWBUBPSA-N

Chemical Structure

2D Structure

CAS: 57701-86-7

CID: 11366139

Formula: C37H46O15

MW: 730.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	730.8
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	13
Exact Mass	730.28367076
Monoisotopic Mass	730.28367076
Topological Polar Surface Area	204 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	1480
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HCA70186-01	Kansuinine A
XBB94584-01	Kansuinine E
MBS5785727	Kansuinine B

Kansuinine A

Chemical Information

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