200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 37413-91-5
37413-91-5 | 21-(Acetyloxy)-pregna-1,4,9(11),16-tetraene-3,20-dione
CAS No: 37413-91-5 Catalog No: AG00362E MDL No:MFCD07783010
Product Description
Catalog Number:
AG00362E
Chemical Name:
21-(Acetyloxy)-pregna-1,4,9(11),16-tetraene-3,20-dione
CAS Number:
37413-91-5
Molecular Formula:
C23H26O4
Molecular Weight:
366.4501
MDL Number:
MFCD07783010
IUPAC Name:
[2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChI:
InChI=1S/C23H26O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7-10,12,17-18H,4-6,11,13H2,1-3H3/t17-,18-,22-,23-/m0/s1
InChI Key:
UFEOMHFPJREVTP-PTRHGPIFSA-N
SMILES:
CC(=O)OCC(=O)C1=CC[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=CC(=O)C=C[C@]12C
EC Number:
253-497-3
Properties
Complexity:
856
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
366.183g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.457g/mol
Monoisotopic Mass:
366.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| VBP15: preclinical characterization of a novel anti-inflammatory delta 9,11 steroid. | Bioorganic & medicinal chemistry 20130415 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.