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Ajugasterone C

CAT: 1410-M31376-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31376-02Size:5 mg
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Description
Ajugasterone C shows significant inhibitory effect at 100 mg/kg dose on rat paw oedema development due to carrageenan-induced inflammation in Sprague Dawley rats.
CAS Number
23044-80-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
480.64
Molecular Formula
C27H44O7
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Ajugasterone C

Ajugasterone C is a steroid.

CAS Number23044-80-6
PubChem CID441826
IUPAC Name(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular FormulaC27H44O7
Molecular Weight480.6
XLogP0.7
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity856
SMILES
CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O
InChI
InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1
InChIKey
LQGNCUXDDPRDJH-UKTRSHMFSA-N
Chemical Structure
2D Structure
2D structure of Ajugasterone C
CAS: 23044-80-6
CID: 441826
Formula: C27H44O7
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP30.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass480.30870374
Monoisotopic Mass480.30870374
Topological Polar Surface Area138 Ų
Heavy Atom Count34
Formal Charge0
Complexity856
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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