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Rauvotetraphylline D

CAT: 0013-GTR19233063-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233063-02Size:10 mg
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Description
Rauvotetraphylline D is a natural alkaloid isolated from the plant Rauvolfia tetraphylla. This compound is utilized in pharmacological research, particularly in in vitro studies investigating its potential biological activities and mechanisms of action.
CAS Number
1422506-52-2
Smiles
O (C (C) =O) [C@H]1[C@]23C ([C@]4 ([N@]5[C@@] (C2) ([C@@]1 ([C@@] (C4) ([C@@H] (/C=C/C (C) =O) [C@@H]5C) [H]) [H]) [H]) [H]) =NC=6C3=CC=CC6
Molecular Formula
C24H26N2O3
Molecular Weight
390.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 137796369
CAS Number1422506-52-2
PubChem CID137796369
IUPAC Name[14-methyl-13-(3-oxobut-1-enyl)-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
Molecular FormulaC24H26N2O3
Molecular Weight390.5
XLogP2.3
Topological Polar Surface Area59
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity834
SMILES
CC1C(C2CC3N1C4C2C(C5(C4)C3=NC6=CC=CC=C56)OC(=O)C)C=CC(=O)C
InChI
InChI=1S/C24H26N2O3/c1-12(27)8-9-15-13(2)26-19-10-16(15)21-20(26)11-24(23(21)29-14(3)28)17-6-4-5-7-18(17)25-22(19)24/h4-9,13,15-16,19-21,23H,10-11H2,1-3H3
InChIKey
CTZIRFIBRQILGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 137796369
CAS: 1422506-52-2
CID: 137796369
Formula: C24H26N2O3
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass390.19434270
Monoisotopic Mass390.19434270
Topological Polar Surface Area59 Ų
Heavy Atom Count29
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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