Home Other Building Blocks Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-

Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-

CAS No.:
125-10-0
Catalog Number:
AG000MYP
Molecular Formula:
C23H28O6
Molecular Weight:
400.4648
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$112
- +
5g
98%
In Stock USA
United States
$391
- +
Product Description
Catalog Number:
AG000MYP
Chemical Name:
Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-
CAS Number:
125-10-0
Molecular Formula:
C23H28O6
Molecular Weight:
400.4648
MDL Number:
MFCD00200229
IUPAC Name:
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChI:
InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
InChI Key:
MOVRKLZUVNCBIP-RFZYENFJSA-N
SMILES:
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
EC Number:
204-726-0
UNII:
OU93QEL83U
NSC Number:
10965
Properties
Complexity:
869  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
400.189g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
400.471g/mol
Monoisotopic Mass:
400.189g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
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Properties