Compound K

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CAT#:0607-N1890-20Size:20 mg

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CAS Number

39262-14-1

Product Name Alternative

(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Field of Research

Natural Products

Purity

0.98

Solubility

insoluble in H2O; ≥17.67 mg/mL in EtOH; ≥53 mg/mL in DMSO

Smiles

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C

Molecular Formula

C36H62O8

Molecular Weight

622.88

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Ginsenoside K

Ginsenoside C-K is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. It has a role as an antineoplastic agent, an anti-allergic agent, a hepatoprotective agent, an anti-inflammatory agent and a plant metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a beta-D-glucoside, a tetracyclic triterpenoid, a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a ginsenoside. It derives from a hydride of a dammarane.

CAS Number	39262-14-1
PubChem CID	9852086
IUPAC Name	(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C36H62O8
Molecular Weight	622.9
XLogP	5.6
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	44
Formal Charge	0
Complexity	1070

SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C

InChI

InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1

InChIKey

FVIZARNDLVOMSU-IRFFNABBSA-N

Chemical Structure

2D Structure

CAS: 39262-14-1

CID: 9852086

Formula: C36H62O8

MW: 622.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	622.9
XLogP3	5.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	622.44446893
Monoisotopic Mass	622.44446893
Topological Polar Surface Area	140 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
A8197-5.1	Compound 56
C8444-50	Compound C108
C5824-10	GPR120 Compound A
A8197-5	Compound 56
B7337-5	Compound 401
C8444-10	Compound C108
A4401-50	Compound W
C8444-25	Compound C108
B7337-10	Compound 401
A8197-S	Compound 56

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
XXC35825-01	Compound 3a
Fr16729-01	Compound Fr16729
PDK0296-01	Compound PDK0296
PDK0264-01	Compound PDK0264
Fr14090-01	Compound Fr14090
Fr14018-01	Compound Fr14018
Fr13991-01	Compound Fr13991
Fr13830-01	Compound Fr13830
Fr13814-01	Compound Fr13814

Compound K

Chemical Information

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