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Trichorabdal A

CAT: 1410-M29350-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Trichorabdal A shows a very strong in vitro antibacterial activity against Helicobacter pylori.
CAS Number
85329-59-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
346.42
Molecular Formula
C20H26O5
Notes
Research use only, not for human use.
Receptor
Anti-infection

Chemical Information

Trichorabdal A

Trichorabdal A has been reported in Isodon angustifolius, Isodon oresbius, and other organisms with data available.

CAS Number85329-59-5
PubChem CID13241286
IUPAC Name(1S,1'R,5R,6S,7R,9S)-7-hydroxy-2',2'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohexane]-1'-carbaldehyde
Molecular FormulaC20H26O5
Molecular Weight346.4
XLogP2.2
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity680
SMILES
CC1(CCC[C@@]2([C@@H]1C=O)COC(=O)[C@]34[C@H]2[C@@H](C[C@H](C3)C(=C)C4=O)O)C
InChI
InChI=1S/C20H26O5/c1-11-12-7-13(22)15-19(6-4-5-18(2,3)14(19)9-21)10-25-17(24)20(15,8-12)16(11)23/h9,12-15,22H,1,4-8,10H2,2-3H3/t12-,13-,14-,15+,19+,20+/m1/s1
InChIKey
KIJKAQHLSSAHOL-HZWIUQJVSA-N
Chemical Structure
2D Structure
2D structure of Trichorabdal A
CAS: 85329-59-5
CID: 13241286
Formula: C20H26O5
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass346.17802393
Monoisotopic Mass346.17802393
Topological Polar Surface Area80.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity680
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
KDA32959-01Trichorabdal A
TBZ0993Trichorabdal F acetate
TBZ0994Trichorabdal G acetate

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