Cimiracemoside C

CAT: 0013-GTR19165338-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19165338-02Size:2 mg

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Description

Cimiracemoside C

CAS Number

256925-92-5

Product Name Alternative

Inhibit, Inhibitor, Cimicifugoside M, Cimiracemoside C, AMP-activated protein kinase, AMPK

Field of Research

Epigenetics & Chromatin, Signal Transduction

Purity

99.73% (May vary between batches)

Solubility

20% Cremophor EL:3 mg/mL (4.83 mM) ; DMSO:6.21 mg/mL (10 mM)

Smiles

[H][C@@]12C[C@@H] (C) [C@]3 ([H]) [C@@]4 (C) CC[C@@]56C[C@@]55CC[C@H] (O[C@]7 ([H]) OC[C@H] (O) [C@H] (O) [C@H]7O) C (C) (C) [C@]5 ([H]) CC[C@@]6 ([H]) [C@]4 (C) [C@@H] (O) C3 (O[C@@H]1C (C) (C) O) O2

Molecular Formula

C35H56O9

Molecular Weight

620.81

Storage Conditions

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Notes

For research use only.

Chemical Information

Cimiracemoside C

cimiracemoside c has been reported in Actaea dahurica, Actaea elata, and Actaea racemosa with data available.

CAS Number	256925-92-5
PubChem CID	15541911
IUPAC Name	(2S,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
Molecular Formula	C35H56O9
Molecular Weight	620.8
XLogP	3.7
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	44
Formal Charge	0
Complexity	1210

SMILES

C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)C)O2)C(C)(C)O

InChI

InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1

InChIKey

BTPYUWOBZFGKAI-BKJHYQRZSA-N

Chemical Structure

2D Structure

CAS: 256925-92-5

CID: 15541911

Formula: C35H56O9

MW: 620.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	620.8
XLogP3	3.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	620.39243336
Monoisotopic Mass	620.39243336
Topological Polar Surface Area	138 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	17
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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Alternative Products

Catalog	Name
XC181688-01	Cimiracemoside A
TN1499-01	Cimiracemoside C
MBS3613845-01	Cimiracemoside D
HY-N6971R	Cimiracemoside C (Standard)
371284	Cimiracemoside D discontinued

Cimiracemoside C

Chemical Information

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