Home Carboxys 2β,7-Dihydroxy-1-methyl-8-methylenegibba-3,4a-diene-1α,10β-dicarboxylic acid

2β,7-Dihydroxy-1-methyl-8-methylenegibba-3,4a-diene-1α,10β-dicarboxylic acid

CAS No.:
546-09-8
Catalog Number:
AG00DULW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DULW
Chemical Name:
2β,7-Dihydroxy-1-methyl-8-methylenegibba-3,4a-diene-1α,10β-dicarboxylic acid
CAS Number:
546-09-8
IUPAC Name:
(1R,2S,3S,4S,5S,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid
InChI:
InChI=1S/C19H22O6/c1-9-7-18-8-19(9,25)6-5-11(18)10-3-4-12(20)17(2,16(23)24)13(10)14(18)15(21)22/h3-4,12-14,20,25H,1,5-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1
InChI Key:
JAHZEMKSAYRHSW-SBECISRQSA-N
Properties
Complexity:
779  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
346.142g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
346.379g/mol
Monoisotopic Mass:
346.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties