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Neoruscogenin (Standard)

CAT: 0804-HY-N2253RSize: 1 EachDry Ice: NoHazardous: No
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Description
Neoruscogenin (Standard) is the analytical standard of Neoruscogenin. This product is intended for research and analytical applications. Neoruscogenin, a member of the steroidal sapogenin family, is a high-affinity agonist of the nuclear receptor RORα (NR1F1) (EC50 = 0.11 μM) [1].
CAS Number
17676-33-4
UNSPSC
12352005
Target
Reference Standards; ROR
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Infection; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/neoruscogenin-standard.html
Smiles
C[C@@]12[C@]([C@@H]3C)([H])[C@](O[C@]3(OC4)CCC4=C)([H])C[C@@]1([H])[C@@](CC=C(C[C@@H](O)C5)[C@@]6([C@@H]5O)C)([H])[C@]6([H])CC2
Molecular Formula
C27H40O4
Molecular Weight
428.60
References & Citations
[1]Helleboid S, et al. The identification of naturally occurring neoruscogenin as a bioavailable, potent, and high-affinity agonist of the nuclear receptor RORα (NR1F1) .J Biomol Screen. 2014 Mar;19 (3) :399-406.|[2]Zhang D, et al. Novel Pro-myogenic Factor Neoruscogenin Induces Muscle Fiber Hypertrophy by Inhibiting MSTN Maturation and Activating the Akt/mTOR Pathway. J Agric Food Chem. 2023 Jan 11;71 (1) :499-511.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Neoruscogenin

Neoruscogenin is a triterpenoid.

CAS Number17676-33-4
PubChem CID9910474
IUPAC Name(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol
Molecular FormulaC27H40O4
Molecular Weight428.6
XLogP4.1
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity820
SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6
InChI
InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey
ALTRINCJVPIQNK-NHIXJPGBSA-N
Chemical Structure
2D Structure
2D structure of Neoruscogenin
CAS: 17676-33-4
CID: 9910474
Formula: C27H40O4
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass428.29265975
Monoisotopic Mass428.29265975
Topological Polar Surface Area58.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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