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Triptonoterpenol

CAT: 0013-GTR19219444-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219444-02Size:5 mg
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Description
Triptonoterpenol (Compound 6) is a bioactive natural product isolated from Tripterygium wilfordii . Research indicates it exhibits anti-inflammatory and immunosuppressive properties, making it a compound of interest for in vitro and in vivo studies in immunology and autoimmune disease research.
CAS Number
110187-23-0
Smiles
C[C@]12C=3C (=C (OC) C (C (C) C) =CC3O) CC[C@@]1 ([C@@] (CO) (C) C (=O) CC2) [H]
Molecular Formula
C21H30O4
Molecular Weight
346.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triptonoterpenol

Triptonoterpenol is a tricyclic diterpenoid having formula C21H30O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite. It is a primary alcohol, a member of phenols, an aromatic ether, a cyclic ketone and a tricyclic diterpenoid.

CAS Number110187-23-0
PubChem CID159330
IUPAC Name(1R,4aR,10aS)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Molecular FormulaC21H30O4
Molecular Weight346.5
XLogP4.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity518
SMILES
CC(C)C1=CC(=C2C(=C1OC)CC[C@H]3[C@]2(CCC(=O)[C@@]3(C)CO)C)O
InChI
InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m0/s1
InChIKey
XGRBHDJWRPUKMD-DQLDELGASA-N
Chemical Structure
2D Structure
2D structure of Triptonoterpenol
CAS: 110187-23-0
CID: 159330
Formula: C21H30O4
MW: 346.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass346.21440943
Monoisotopic Mass346.21440943
Topological Polar Surface Area66.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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