Verrucofortine

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Catalog Number
ACM113706211
Product Name
Verrucofortine
Structure
Structure
CAS
113706-21-1
Category
Heterocyclic Organic Compound
Synonyms
Fructigenine B
IUPAC Name
Verrucofortine
Molecular Weight
409.5
Molecular Formula
C24H31N3O3
Canonical SMILES
CC(C)CC1C(=O)N2C(CC3(C2N(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
InChI Key
BMRZKNPRSPWNNW-UNBWHIKDSA-N
Boiling Point
654.4ºC at 760mmHg
Flash Point
349.6ºC
Density
1.21g/cm³
Appearance
Pale yellow residue
Complexity
776
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Exact Mass
409.23654186
Heavy Atom Count
30
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
Isomeric 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
Monoisotopic Mass
409.23654186
Physical State
Powder
Rotatable Bond Count
4
Topological Polar Surface Area
69.7 Ų
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