Cimiracemoside D

CAT: 0013-GTR19168854-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0013-GTR19168854-03Size:1 ml x 10 mM (in DMSO)

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Description

Cimiracemoside D is a bioactive triterpene glycoside isolated from the medicinal plant Cimicifuga foetida L. Research indicates it exhibits anti-inflammatory and anti-osteoporotic activities, making it a compound of interest for pharmacological studies in both cellular and animal models.

CAS Number

290821-39-5

Product Name Alternative

Cimiracemoside D, inhibit, Inhibitor

Purity

99.66% (May vary between batches)

Solubility

DMSO:10 mg/mL (14.73 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:0.5 mg/mL (0.74 mM)

Smiles

[H][C@@]12C[C@@H] (C) [C@@]3 ([H]) C (O[C@@H]1C (C) (C) O) (O2) [C@H] (O) [C@@]1 (C) [C@]2 ([H]) CC[C@]4 ([H]) [C@]5 (C[C@@]25C[C@@H] (OC (C) =O) [C@]31C) CC[C@H] (O[C@]1 ([H]) OC[C@H] (O) [C@H] (O) [C@H]1O) C4 (C) C

Molecular Formula

C37H58O11

Molecular Weight

678.85

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Cimiracemoside D

Cimiracemoside D is a cucurbitacin and a glycoside. It has a role as a metabolite.

CAS Number	290821-39-5
PubChem CID	70698290
IUPAC Name	[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-16-yl] acetate
Molecular Formula	C37H58O11
Molecular Weight	678.8
XLogP	2.9
Topological Polar Surface Area	164
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	48
Formal Charge	0
Complexity	1350

SMILES

C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4([C@@H](C[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)OC(=O)C)C)O2)C(C)(C)O

InChI

InChI=1S/C37H58O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19+,20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1

InChIKey

HZIBYJCDCHVSPK-RKUDFBBFSA-N

Chemical Structure

2D Structure

CAS: 290821-39-5

CID: 70698290

Formula: C37H58O11

MW: 678.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	678.8
XLogP3	2.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	678.39791266
Monoisotopic Mass	678.39791266
Topological Polar Surface Area	164 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1350
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
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
GTR19165338-01	Cimiracemoside C
GTR19155749-01	Cimiracemoside C
GTR19068292-01	D-D-D-D-D
GTR18896375-01	D-D-D-D-D-D peptide
GTR18896374-01	D-D-D-D-D peptide
GTR19036094-01	(D-Arg1, D-Pro2, D-Phe7, D-His9) -Substance P
GTR19035915-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
GTR19068288-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P
GTR19259673-01	D-Ala-D-Ala
GTR19247190-01	D-Glycero-D-mannoheptose

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 D

Chemical Information

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