11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate
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Product Description
Product
11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate
CAS
3593-96-2
Formula
C27H40O6
Synonym
[2-(11,17-Dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[A]phenanthren-17-yl)-2-oxo-ethyl]hexanoate; 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate; 11ß,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione; C13422; Hydrocortisone caproate
Typical Product Specifications
Vapor Pressure
4.54E-15 mm Hg
log P (octanol-water)
4.48
Water solubility
0.191 mg/L
Atmospheric OH Rate Constant
1.17E-10 cm3/molecule-sec
Henry's Law Constant
1.94E-11 atm-m3/mole
Molecular weight
460.60
EINECS
222-737-9
SMILES
C=12[C@@](CCC(C1)=O)(C)[C@H]1[C@H](C[C@@]3([C@H]([C@@H]1CC2)CC[C@@]3(C(COC(=O)CCCCC)=O)O)C)O
InChI
XZSVYVIYKBHVMV-FOMYWIRZSA-N
InChIKey
1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
Class
11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate
Product Description
Product
11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate
CAS
3593-96-2
Formula
C27H40O6
Synonym
[2-(11,17-Dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[A]phenanthren-17-yl)-2-oxo-ethyl]hexanoate; 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-hexanoate; 11ß,17-Dihydroxy-21-[(1-oxohexyl)oxy]pregn-4-ene-3,20-dione; C13422; Hydrocortisone caproate
Typical Product Specifications
Vapor Pressure
4.54E-15 mm Hg
log P (octanol-water)
4.48
Water solubility
0.191 mg/L
Atmospheric OH Rate Constant
1.17E-10 cm3/molecule-sec
Henry's Law Constant
1.94E-11 atm-m3/mole
Molecular weight
460.60
EINECS
222-737-9
SMILES
C=12[C@@](CCC(C1)=O)(C)[C@H]1[C@H](C[C@@]3([C@H]([C@@H]1CC2)CC[C@@]3(C(COC(=O)CCCCC)=O)O)C)O
InChI
XZSVYVIYKBHVMV-FOMYWIRZSA-N
InChIKey
1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
Class
