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Triptoquinone H

CAT: 0013-GTR19219445-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219445-02Size:50 mg
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Description
Triptoquinone H is a bioactive small molecule isolated from Tripterygium hypoglaucum. It is widely used in cancer and immunology research due to its demonstrated cytotoxic and anti-inflammatory activities, which have been studied in both cellular and animal models of disease.
CAS Number
268541-23-7
Smiles
C[C@@]12C3=C (CC[C@]1 (C (C) (C) C (=O) CC2) [H]) C (=O) C (C (C) C) =CC3=O
Molecular Formula
C20H26O3
Molecular Weight
314.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triptoquinone H

Triptoquinone H is an abietane diterpenoid with formula C20H26O3, originally isolated from Tripterygium hypoglaucum. It has a role as a plant metabolite. It is a member of p-quinones, a cyclic terpene ketone, an abietane diterpenoid, a carbotricyclic compound and a tricyclic diterpenoid.

CAS Number268541-23-7
PubChem CID101062652
IUPAC Name(4bS,8aR)-4b,8,8-trimethyl-2-propan-2-yl-6,8a,9,10-tetrahydro-5H-phenanthrene-1,4,7-trione
Molecular FormulaC20H26O3
Molecular Weight314.4
XLogP3.4
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity675
SMILES
CC(C)C1=CC(=O)C2=C(C1=O)CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C
InChI
InChI=1S/C20H26O3/c1-11(2)13-10-14(21)17-12(18(13)23)6-7-15-19(3,4)16(22)8-9-20(15,17)5/h10-11,15H,6-9H2,1-5H3/t15-,20-/m0/s1
InChIKey
JRDCNBZYYIEMRB-YWZLYKJASA-N
Chemical Structure
2D Structure
2D structure of Triptoquinone H
CAS: 268541-23-7
CID: 101062652
Formula: C20H26O3
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass314.18819469
Monoisotopic Mass314.18819469
Topological Polar Surface Area51.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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