200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 6929-22-2
6929-22-2 | Cholan-24-oicacid, 3,6-dioxo-, (5a)- (9CI)
CAS No: 6929-22-2 Catalog No: AG006GGX MDL No:
Product Description
Catalog Number:
AG006GGX
Chemical Name:
Cholan-24-oicacid, 3,6-dioxo-, (5a)- (9CI)
CAS Number:
6929-22-2
Molecular Formula:
C24H36O4
Molecular Weight:
388.5402
IUPAC Name:
(4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:
InChI=1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14,16-20H,4-13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20-,23-,24-/m1/s1
InChI Key:
AWINBLVINXVKTE-DLKBGQMWSA-N
SMILES:
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC(=O)[C@@H]2[C@]1(C)CCC(=O)C2)C
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
388.261g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.548g/mol
Monoisotopic Mass:
388.261g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.