Home Other Building Blocks Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3,17-dipropanoate

Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3,17-dipropanoate

CAS No.:
113-38-2
Catalog Number:
AG0081U4
Molecular Formula:
C24H32O4
Molecular Weight:
384.5085
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$143
- +
250mg
98%(HPLC)
In Stock USA
United States
$355
- +
1g
98%(HPLC)
In Stock USA
United States
$1033
- +
Product Description
Catalog Number:
AG0081U4
Chemical Name:
Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3,17-dipropanoate
CAS Number:
113-38-2
Molecular Formula:
C24H32O4
Molecular Weight:
384.5085
MDL Number:
MFCD00051146
IUPAC Name:
[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
InChI:
InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1
InChI Key:
JQIYNMYZKRGDFK-RUFWAXPRSA-N
SMILES:
CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2OC(=O)CC)C
EC Number:
204-026-5
UNII:
NIG5418BXB
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
384.23g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.516g/mol
Monoisotopic Mass:
384.23g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
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