200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 129741-56-6
129741-56-6 | Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
CAS No: 129741-56-6 Catalog No: AG000TN6 MDL No:
Product Description
Catalog Number:
AG000TN6
Chemical Name:
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aR,4aR,7aR,7bS)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-4a-hydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
CAS Number:
129741-56-6
Molecular Formula:
C24H30O6
Molecular Weight:
414.4914
IUPAC Name:
[(2R,2aR,4aR,7aR,7bS)-3-formyl-4a-hydroxy-6,6,7b-trimethyl-1,2,2a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
InChI:
InChI=1S/C24H30O6/c1-13-6-15(29-5)7-16(26)19(13)21(27)30-17-9-23(4)18-10-22(2,3)12-24(18,28)8-14(11-25)20(17)23/h6-8,11,17-18,20,26,28H,9-10,12H2,1-5H3/t17-,18-,20-,23-,24+/m1/s1
InChI Key:
BGKXQRPQNIXIMH-MEVKZITKSA-N
SMILES:
O=CC1=C[C@]2(O)CC(C[C@@H]2[C@@]2([C@H]1[C@H](OC(=O)c1c(C)cc(cc1O)OC)C2)C)(C)C
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
414.204g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.498g/mol
Monoisotopic Mass:
414.204g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.