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25S-Inokosterone

CAT: 0804-HY-N4130-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N4130-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
25S-Inokosterone is a phytoecdysone in the roots of two same species of A. bidentata Blume and A. japonica Nakai, and two different species of C. capitata Moq and C. officinalis Kuan. 25S-Inokosterone has the potential for the LPS-induced acute kidney injury research[1][2].
CAS Number
19595-18-7
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/25s-inokosterone.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
O[C@]12C([C@@](CC[C@@]1([C@@](CC2)([H])[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)([H])[C@@]3([C@@]4([H])C[C@H]([C@H](C3)O)O)C)=CC4=O
Molecular Formula
C27H44O7
Molecular Weight
480.63
References & Citations
[1]Shengchao Wang, et al. Raw and salt-processed Achyranthes bidentata attenuate LPS-induced acute kidney injury by inhibiting ROS and apoptosis via an estrogen-like pathway. Biomed Pharmacother|[2]Bing Tian Zhao, et al. High performance liquid chromatography used for quality control of Achyranthis Radix. Arch Pharm Res. 2012 Aug;35 (8) :1449-55.|[3]K. Kim, et al.Phytoecdysones from the Roots of Achyranthes japonica Nakai and their Anti-atopy Activity. J Appl Biol Chem (2015) 58 (1), 13-19.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

25S-Inokosterone

25S-Inokosterone has been reported in Vitex megapotamica, Polypodium virginianum, and other organisms with data available.

CAS Number19595-18-7
PubChem CID12358616
IUPAC Name(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6S)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular FormulaC27H44O7
Molecular Weight480.6
XLogP0.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity843
SMILES
C[C@@H](CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CO
InChI
InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
InChIKey
JQNVCUBPURTQPQ-BMZRUTLMSA-N
Chemical Structure
2D Structure
2D structure of 25S-Inokosterone
CAS: 19595-18-7
CID: 12358616
Formula: C27H44O7
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP30.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass480.30870374
Monoisotopic Mass480.30870374
Topological Polar Surface Area138 Ų
Heavy Atom Count34
Formal Charge0
Complexity843
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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