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Triptonoterpene

CAT: 0013-GTR19229674-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229674-04Size:10 mg
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Description
Triptonoterpene is an abietane diterpenoid natural product isolated from Tripterygium wilfordii and Tripterygium doianum. It serves as a research tool for studying diterpenoid biosynthesis and has been investigated in vitro for its potential biological activities.
CAS Number
99694-87-8
Purity
99.40% (May vary between batches)
Smiles
C[C@@]12C=3C (CC[C@]1 (C (C) (C) C (=O) CC2) [H]) =C (O) C (C (C) C) =CC3
Molecular Formula
C20H28O2
Molecular Weight
300.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triptonoterpene

Triptonoterpene is an abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3 and 14 respectively by oxo and hydroxy groups. It is found in Tripterygium wilfordii. It has a role as a plant metabolite. It is a member of phenols, a cyclic terpene ketone, an abietane diterpenoid, a carbotricyclic compound and a tricyclic diterpenoid.

CAS Number99694-87-8
PubChem CID101691231
IUPAC Name(4aS,10aR)-8-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Molecular FormulaC20H28O2
Molecular Weight300.4
XLogP4.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity453
SMILES
CC(C)C1=C(C2=C(C=C1)[C@]3(CCC(=O)C([C@@H]3CC2)(C)C)C)O
InChI
InChI=1S/C20H28O2/c1-12(2)13-6-8-15-14(18(13)22)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h6,8,12,16,22H,7,9-11H2,1-5H3/t16-,20+/m0/s1
InChIKey
WENIWZBFJBCNNG-OXJNMPFZSA-N
Chemical Structure
2D Structure
2D structure of Triptonoterpene
CAS: 99694-87-8
CID: 101691231
Formula: C20H28O2
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass300.208930132
Monoisotopic Mass300.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity453
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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