Products for Research Use Only

Triptonoterpene Me ether

CAT: 0013-GTR19219443-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19219443-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Triptonoterpene Me ether (compound 5) is a rosinane diterpenoid isolated from Tripterygium wilfordii . This small molecule is used in research for its reported biological activities, including studies in anti-inflammatory and cytotoxic assays in vitro.
CAS Number
173293-35-1
Smiles
C[C@@]12C=3C (=C (OC) C (C (C) C) =CC3) CC[C@]1 (C (C) (C) C (=O) CC2) [H]
Molecular Formula
C21H30O2
Molecular Weight
314.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triptonoterpene methyl ether

triptonoterpene methyl ether has been reported in Tripterygium wilfordii and Salvia montbretii with data available.

CAS Number173293-35-1
PubChem CID162910617
IUPAC Name(4aS,10aR)-8-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Molecular FormulaC21H30O2
Molecular Weight314.5
XLogP5.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity466
SMILES
CC(C)C1=C(C2=C(C=C1)[C@]3(CCC(=O)C([C@@H]3CC2)(C)C)C)OC
InChI
InChI=1S/C21H30O2/c1-13(2)14-7-9-16-15(19(14)23-6)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h7,9,13,17H,8,10-12H2,1-6H3/t17-,21+/m0/s1
InChIKey
KYKRDPYDEHBXPN-LAUBAEHRSA-N
Chemical Structure
2D Structure
2D structure of Triptonoterpene methyl ether
CAS: 173293-35-1
CID: 162910617
Formula: C21H30O2
MW: 314.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass314.224580195
Monoisotopic Mass314.224580195
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity466
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