Celosin K

CAT: 1410-M39043-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:1410-M39043-02Size:2 mg

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Description

Celosin K (compound 8) can be isolated from the seeds of Semen Celosiae. Celosin K is a potent inhibitor of neuron injury elicited by t-BHP. Celosin K inhibits oxidative stressand apoptosis, and acts of autophagy.

CAS Number

1950579-53-9

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

943.08

Molecular Formula

C47H74O19

Notes

Research use only, not for human use.

Receptor

Other Targets

Chemical Information

Celosin K

CAS Number	1950579-53-9
PubChem CID	168679887
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Molecular Formula	C47H74O19
Molecular Weight	943.1
XLogP	1.8
Topological Polar Surface Area	312
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Heavy Atom Count	66
Formal Charge	0
Complexity	1860

SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@@H]([C@@H](C3(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)C

InChI

InChI=1S/C47H74O19/c1-42(2)12-14-47(41(60)66-39-31(55)29(53)28(52)24(18-48)62-39)15-13-45(6)20(21(47)16-42)8-9-26-44(5)17-22(49)36(43(3,4)25(44)10-11-46(26,45)7)65-40-33(57)34(32(56)35(64-40)37(58)59)63-38-30(54)27(51)23(50)19-61-38/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31+,32-,33+,34-,35-,36-,38-,39-,40-,44-,45+,46+,47-/m0/s1

InChIKey

AOIUILDVXQSAMC-HAUVCKJBSA-N

Chemical Structure

2D Structure

CAS: 1950579-53-9

CID: 168679887

Formula: C47H74O19

MW: 943.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	943.1
XLogP3	1.8
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	9
Exact Mass	942.48243013
Monoisotopic Mass	942.48243013
Topological Polar Surface Area	312 Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	1860
Isotope Atom Count	0
Defined Atom Stereocenter Count	23
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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M38585-01	Celosin J
M29432-01	Celosin H
M38586	Celosin L
M31837-01	Celosin I
M15857	K-777
M15789-01	K-858
M38970	Nardoguaianone K
M31701-01	Epimedin K
M31648-01	Ilexoside K
M34302-01	K-111

Alternative Products

Catalog	Name
T82748-01	Celosin L
TN1478-01	Celosin I
AB3082	Celosin J
MBS5788991	Celosin H
GTR19260274-01	Celosin K

Celosin K

Chemical Information

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