200,000+ products from a single source!
sales@angenechem.com
13073-36-4 | Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)- (9CI)
CAS No: 13073-36-4 Catalog No: AG000UWB MDL No:
Product Description
Catalog Number:
AG000UWB
Chemical Name:
Pregnane-3,20-dione, 21-(3-carboxy-1-oxopropoxy)- (9CI)
CAS Number:
13073-36-4
Molecular Formula:
C25H36O6
Molecular Weight:
432.5497
IUPAC Name:
4-[2-[(8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
InChI:
InChI=1S/C25H36O6/c1-24-11-9-16(26)13-15(24)3-4-17-18-5-6-20(25(18,2)12-10-19(17)24)21(27)14-31-23(30)8-7-22(28)29/h15,17-20H,3-14H2,1-2H3,(H,28,29)/t15?,17-,18-,19-,20+,24-,25-/m0/s1
InChI Key:
KLRNMIUKAXHHFS-LCOKDZCBSA-N
SMILES:
OC(=O)CCC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCC(=O)C2
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
432.251g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.557g/mol
Monoisotopic Mass:
432.251g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.