Home Carboxys Gibb-3-ene-1,10-dicarboxylic acid,2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,(1a,2b,4aa,4bb,10b)-

Gibb-3-ene-1,10-dicarboxylic acid,2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,(1a,2b,4aa,4bb,10b)-

CAS No.:
510-75-8
Catalog Number:
AG00ILNU
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00ILNU
Chemical Name:
Gibb-3-ene-1,10-dicarboxylic acid,2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,(1a,2b,4aa,4bb,10b)-
CAS Number:
510-75-8
MDL Number:
MFCD00133364
IUPAC Name:
(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
InChI:
InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
InChI Key:
SEEGHKWOBVVBTQ-NFMPGMCNSA-N
EC Number:
208-117-0
UNII:
O302R26800
Properties
Complexity:
725  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
330.147g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.38g/mol
Monoisotopic Mass:
330.147g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties