Products for Research Use Only
RegisterLogin

Rubropunctamine

CAT: 1299-RM-R301000-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-R301000-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
514-66-9
Synonyms
(R, E) -3-hexanoyl-9a-methyl-6- (prop-1-en-1-yl) furo[3,2-g]isoquinoline-2,9 (7H,9aH) -dione
Molecular Formula
C21H23NO4
Molecular Weight
353.42
Target Alternative Name
Rubropunctamine
Product Name Synonym
(R, E) -3-hexanoyl-9a-methyl-6- (prop-1-en-1-yl) furo[3,2-g]isoquinoline-2,9 (7H,9aH) -dione

Chemical Information

Rubropunctamine

See also: Rubropunctamine (annotation moved to).

CAS Number514-66-9
PubChem CID135612770
IUPAC Name(3E,9aR)-3-(1-hydroxyhexylidene)-9a-methyl-6-[(E)-prop-1-enyl]furo[3,2-g]isoquinoline-2,9-dione
Molecular FormulaC21H23NO4
Molecular Weight353.4
XLogP4.3
Topological Polar Surface Area76.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity690
SMILES
CCCCC/C(=C\1/C2=CC3=CC(=NC=C3C(=O)[C@@]2(OC1=O)C)/C=C/C)/O
InChI
InChI=1S/C21H23NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10-12,23H,4,6-7,9H2,1-3H3/b8-5+,18-17+/t21-/m1/s1
InChIKey
WTEXYKPGDKLLCW-CLFFMEQDSA-N
Chemical Structure
2D Structure
2D structure of Rubropunctamine
CAS: 514-66-9
CID: 135612770
Formula: C21H23NO4
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass353.16270821
Monoisotopic Mass353.16270821
Topological Polar Surface Area76.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RG-E141467-01Rubropunctatin

Alternative Products

CatalogName
BA1573-1Rubropunctamine

Popular Products