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LINDERANE

CAS No.:
13476-25-0
Catalog Number:
AG009AK9
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
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Product Description
Catalog Number:
AG009AK9
Chemical Name:
LINDERANE
CAS Number:
13476-25-0
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
MDL Number:
MFCD07781424
IUPAC Name:
(1S,4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one
InChI:
InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1
InChI Key:
KBMSVODXFLAQNJ-DXGHHDSJSA-N
SMILES:
C/C/1=C/CC[C@@]23O[C@@H]3[C@H](c3c(C1)occ3C)OC2=O
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Sesquiterpene lactones from the root tubers of Lindera aggregata. Journal of natural products 20090801
Properties