200,000+ products from a single source!
sales@angenechem.com
69912-70-5 | 1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)-
CAS No: 69912-70-5 Catalog No: AG005H20 MDL No:
Product Description
Catalog Number:
AG005H20
Chemical Name:
1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)-
CAS Number:
69912-70-5
Molecular Formula:
C20H24O4
Molecular Weight:
328.4022
IUPAC Name:
(2S,6S,7R)-2,6-dimethyl-14-oxo-13-oxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),11,15-triene-6-carboxylic acid
InChI:
InChI=1S/C20H24O4/c1-19-8-3-9-20(2,18(22)23)16(19)7-5-12-10-15-13(4-6-14(12)19)11-17(21)24-15/h10-11,16H,3-9H2,1-2H3,(H,22,23)/t16-,19-,20+/m1/s1
InChI Key:
BNJWIAKPZPKUQY-AHRSYUTCSA-N
SMILES:
O=C1C=C2C(=CC3=C(CC2)[C@@]2(C)CCC[C@]([C@@H]2CC3)(C)C(=O)O)O1
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
328.167g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.408g/mol
Monoisotopic Mass:
328.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.