Products for Research Use Only
RegisterLogin

Retroisosenine

CAT: 0804-HY-126760Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-126760Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Retroisosenine is a pyrrolizidine alkaloid isolated from the plant of the genus Senecio. Its specific mechanism of activity and application details are not described in detail from the existing information.
CAS Number
62018-78-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/retroisosenine.html
Smiles
O=C(C[C@](O1)(C[C@H]2C)C)O[C@@]3([H])[C@@]4([H])C(COC([C@@]12C)=O)=CCN4CC3
Molecular Formula
C18H25NO5
Molecular Weight
335.39
References & Citations
[1]Iodanthine, a pyrrolizidine alkaloid from senecio iodanthus and senecio bracteatus
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Retroisosenine

Retroisosenine has been reported in Senecio macedonicus, Senecio roseus, and Senecio nemorensis with data available.

CAS Number62018-78-4
PubChem CID21582622
IUPAC Name(1R,5R,7R,8S,18R)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.15,8.015,18]nonadec-12-ene-3,9-dione
Molecular FormulaC18H25NO5
Molecular Weight335.4
XLogP0.8
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity617
SMILES
C[C@@H]1C[C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(O2)C)C
InChI
InChI=1S/C18H25NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h4,11,13,15H,5-10H2,1-3H3/t11-,13-,15-,17-,18+/m1/s1
InChIKey
KOYQLXLYMDNSGL-DZHCQNFQSA-N
Chemical Structure
2D Structure
2D structure of Retroisosenine
CAS: 62018-78-4
CID: 21582622
Formula: C18H25NO5
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass335.17327290
Monoisotopic Mass335.17327290
Topological Polar Surface Area65.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T34301-01Retroisosenine

Popular Products