200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113565-94-9
113565-94-9 | 1H-Indene-1,5(4H)-dione, 4-[2-(2,3-dihydroxy-6-methylphenyl)-1-hydroxyethyl]hexahydro-7-hydroxy-7a-methyl-, [3aS-[3aα,4α(S*),7β,7aβ]]- (9CI)
CAS No: 113565-94-9 Catalog No: AG00090P MDL No:
Product Description
Catalog Number:
AG00090P
Chemical Name:
1H-Indene-1,5(4H)-dione, 4-[2-(2,3-dihydroxy-6-methylphenyl)-1-hydroxyethyl]hexahydro-7-hydroxy-7a-methyl-, [3aS-[3aα,4α(S*),7β,7aβ]]- (9CI)
CAS Number:
113565-94-9
IUPAC Name:
(3aS,4R,7R,7aR)-4-[2-(2,3-dihydroxy-6-methylphenyl)-1-hydroxyethyl]-7-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
InChI:
InChI=1S/C19H24O6/c1-9-3-5-12(20)18(25)10(9)7-13(21)17-11-4-6-15(23)19(11,2)16(24)8-14(17)22/h3,5,11,13,16-17,20-21,24-25H,4,6-8H2,1-2H3/t11-,13?,16+,17+,19-/m0/s1
InChI Key:
YFZJGCLOFUBQST-YBPXMJGFSA-N
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
348.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
348.395g/mol
Monoisotopic Mass:
348.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.