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Verrucofortine

CAT: 0543-V025-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0543-V025-5MGSize:5 mg
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CAS Number
113706-21-1
Applications
BioActive Small Molecules.
Purity
>95% by HPLC
Molecular Formula
C24H31N3O3
Molecular Weight
409.5
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Verrucofortine

Verrucofortine is a pyrroloindole.

CAS Number113706-21-1
PubChem CID119172
IUPAC Name(1R,4S,7S,9R)-16-acetyl-9-(2-methylbut-3-en-2-yl)-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Molecular FormulaC24H31N3O3
Molecular Weight409.5
XLogP3.8
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity776
SMILES
CC(C)C[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C(=O)N1
InChI
InChI=1S/C24H31N3O3/c1-7-23(5,6)24-13-19-20(29)25-17(12-14(2)3)21(30)27(19)22(24)26(15(4)28)18-11-9-8-10-16(18)24/h7-11,14,17,19,22H,1,12-13H2,2-6H3,(H,25,29)/t17-,19-,22-,24+/m0/s1
InChIKey
BMRZKNPRSPWNNW-UNBWHIKDSA-N
Chemical Structure
2D Structure
2D structure of Verrucofortine
CAS: 113706-21-1
CID: 119172
Formula: C24H31N3O3
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass409.23654186
Monoisotopic Mass409.23654186
Topological Polar Surface Area69.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
468644-01Verrucofortine
V2121-70WVerrucofortine (Fructigenine B, Verrucosine, Verrucozine)

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