Home Carboxys Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, monosodiumsalt, (6a,11b)-

Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, monosodiumsalt, (6a,11b)-

CAS No.:
2375-03-3
Catalog Number:
AG00I4LE
Molecular Formula:
C26H33NaO8
Molecular Weight:
496.5252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$126
- +
50mg
98%
1 week
United States
$307
- +
Product Description
Catalog Number:
AG00I4LE
Chemical Name:
Pregna-1,4-diene-3,20-dione,21-(3-carboxy-1-oxopropoxy)-11,17-dihydroxy-6-methyl-, monosodiumsalt, (6a,11b)-
CAS Number:
2375-03-3
Molecular Formula:
C26H33NaO8
Molecular Weight:
496.5252
MDL Number:
MFCD00152612
IUPAC Name:
sodium;4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoate
InChI:
InChI=1S/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1
InChI Key:
FQISKWAFAHGMGT-SGJOWKDISA-M
SMILES:
[O-]C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C.[Na+]
EC Number:
219-156-8
UNII:
LEC9GKY20K
Properties
Complexity:
988  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
496.207g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
496.532g/mol
Monoisotopic Mass:
496.207g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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