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Solstitialin A

CAT: 0931-TN11572-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11572-02Size:50 mg
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CAS Number
22738-70-1
Target
Others
Related Pathways
Others
Bioactivity
Solstitialin A is a guaianolide-type sesquiterpene lactone isolated from Centaurea solstitialis L.ssp. Solstitialis. A mixture of Solstitialin A and 13-acetyl solstitialin A shows inhibitory effects on ulcers induced by ethanol and Indomethacin. Solstitialin A is valuable for research related to peptic ulcers.
Smiles
C=C1[C@@]2([C@@]3([C@]([C@](CO)(O)C(=O)O3)(CCC(=C)[C@@]2(C[C@@H]1O)[H])[H])[H])[H]
Molecular Formula
C15H20O5
Molecular Weight
280.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Solstitialin

Solstitialin has been reported in Cynara cornigera, Centaurea solstitialis, and other organisms with data available.

CAS Number22738-70-1
PubChem CID100715
IUPAC Name(3R,3aR,6aR,8S,9aR,9bR)-3,8-dihydroxy-3-(hydroxymethyl)-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Molecular FormulaC15H20O5
Molecular Weight280.32
XLogP0
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity485
SMILES
C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)[C@@]2(CO)O
InChI
InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1
InChIKey
LWOZDCFSMDBOSA-AQEIEYEASA-N
Chemical Structure
2D Structure
2D structure of Solstitialin
CAS: 22738-70-1
CID: 100715
Formula: C15H20O5
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass280.13107373
Monoisotopic Mass280.13107373
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N15590Solstitialin A
ZAA47033-01Solstitialin A 13-acetate

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