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87081-36-5

87081-36-5 | Leptomycin A

CAS No: 87081-36-5 Catalog No: AG004MVE MDL No:

Product Description

Catalog Number:
AG004MVE
Chemical Name:
Leptomycin A
CAS Number:
87081-36-5
Molecular Formula:
C32H46O6
Molecular Weight:
526.7040
IUPAC Name:
(2E,10E,12E,16E,18E)-6-hydroxy-3,5,7,9,11,15,17-heptamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid
InChI:
InChI=1S/C32H46O6/c1-20(16-22(3)12-14-28-24(5)13-15-30(35)38-28)10-9-11-21(2)17-25(6)31(36)27(8)32(37)26(7)18-23(4)19-29(33)34/h9,11-17,19-20,24-28,32,37H,10,18H2,1-8H3,(H,33,34)/b11-9+,14-12+,21-17+,22-16+,23-19+
InChI Key:
QECBVZBMGUAZDL-DLWOFZAMSA-N
SMILES:
CC(=CC(C(=O)C(C(C(CC(=CC(=O)O)C)C)O)C)C)C=CCC(C=C(C=CC1OC(=O)C=CC1C)C)C
NSC Number:
369326

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
5  
Exact Mass:
526.329g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
526.714g/mol
Monoisotopic Mass:
526.329g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
7  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  

Literature

Title Journal
ADAM17-mediated shedding of the IL6R induces cleavage of the membrane stub by gamma-secretase. Biochimica et biophysica acta 20100201
Total synthesis of callystatin a by titanium-mediated reductive alkyne-alkyne cross-coupling. Angewandte Chemie (International ed. in English) 20080101
The leptomycin gene cluster and its heterologous expression in Streptomyces lividans. The Journal of antibiotics 20051001
Phosphorylation and dimerization regulate nucleocytoplasmic shuttling of mammalian STE20-like kinase (MST). The Journal of biological chemistry 20020405

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