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Cimicifugoside H-1

CAT: 0013-GTR19165339-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165339-01Size:1 mg
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Description
Cimicifugoside H1 is a neuroprotective agent that safeguards neurons from ischemic injury. It is a research compound used in studies of stroke and cerebral ischemia, with applications in both in vitro neuronal models and in vivo animal studies of brain protection.
CAS Number
163046-73-9
Product Name Alternative
C. foetida, bone, Cimicifugoside H 1, Cimicifugoside H1, Cimicifugoside H-1, cyclolanostanol, Inhibitor, inhibit, loss, ovariectomy, resorption, xyloside
Purity
97.74% (May vary between batches)
Solubility
DMSO:6.17 mg/mL (10 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.62 mM)
Smiles
[H][C@]1 ([C@H] (C) CC (=O) [C@@H]2OC2 (C) C) C (=O) C[C@@]2 (C) C3=CC[C@]4 ([H]) [C@]5 (C[C@@]35[C@@H] (O) C[C@]12C) CC[C@H] (O[C@@H]1OC[C@@H] (O) [C@H] (O) [C@H]1O) C4 (C) C
Molecular Formula
C35H52O9
Molecular Weight
616.78
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

Cimicifugoside H1

cimicifugoside H1 has been reported in Actaea elata, Actaea racemosa, and Actaea simplex with data available.

CAS Number163046-73-9
PubChem CID15241163
IUPAC Name(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
Molecular FormulaC35H52O9
Molecular Weight616.8
XLogP1.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count44
Formal Charge0
Complexity1290
SMILES
C[C@H](CC(=O)[C@H]1C(O1)(C)C)[C@H]2C(=O)C[C@@]3([C@@]2(C[C@@H]([C@]45C3=CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)C
InChI
InChI=1S/C35H52O9/c1-17(12-18(36)28-31(4,5)44-28)25-19(37)13-32(6)22-9-8-21-30(2,3)24(43-29-27(41)26(40)20(38)15-42-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-41H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1
InChIKey
PYBFXJMIKJNNAJ-GLWILYKISA-N
Chemical Structure
2D Structure
2D structure of Cimicifugoside H1
CAS: 163046-73-9
CID: 15241163
Formula: C35H52O9
MW: 616.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.8
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass616.36113323
Monoisotopic Mass616.36113323
Topological Polar Surface Area146 Ų
Heavy Atom Count44
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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