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Predicted properties of the compound entered.

ID AAXVEMMRQDVLJB-BULBTXNYSA-N
Formula C21H29FO5
IUPAC Name (1R,2S,10S,11S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
Standard InChIKey (User Input) InChIKey=AAXVEMMRQDVLJB-BULBTXNYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | 127-31-1 | (11beta)-9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione | Fludrocortisona [INN-Spanish] | LMST02030103 | Fludrocortisonum [INN-Latin] | HSDB 3332 | NSC 11318 | Prestwick_648 | 9alpha-fluoro-11beta,17alpha,21-trihydroxy-pregn-4-ene-3,20-dione | Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11beta)- | Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy- | C07004 | Fludrocortisone | ZK5 | Pregn-4-ene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy- | Pregn-4-ene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy- (8CI) | 4-08-00-03427 (Beilstein Handbook Reference) | 9 alpha FF | 9-Fluoro-11-beta,17,21-trihydroxypregn-4-ene-3,20-dione | 9-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione | 9-alpha-Fludrocortisone | 9-alpha-Fluoro-17-hydroxycorticosterone | 9-alpha-Fluorocortisol | 9-alpha-Fluorohydrocortisone | 9alpha-Fludrocortisone | 9 .alpha. FF | 9-AF | 9-AFH | 9-Fluoro-11.beta.,17,21-trihydroxypregn-4-ene-3,20-dione | 9-Fluorocortisol | 9-Fluorohydrocortisone | 9.alpha.-Fluoro-11.beta.,17.alpha.,21-trihydroxy-4-pregnene-3,20-dione | 9.alpha.-Fluoro-17-hydroxycorticosterone | 9.alpha.-Fluorocortisol | 9.alpha.-Fluorohydrocortisone | Alflorone | Astonin-H | Corticosterone, 9-fluoro-17-hydroxy- | Cortisol, 9-fluoro- | F-COL | F-Cortef | Florinef | Fludrocortone | Fludrone | Fludronef | Fluodrocortisone | Fluohydrisone | Fluohydrocortisone | Fluorocortisol | Fluorocortisone | NSC11318 | Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11.beta.)- | Pregn-4-ene-3,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy- | StC 1400 | U 5963 | WLN: L E5 B666 OV MUTJ A1 BF CQ E1 FV1Q FQ | 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione | 9alpha-Fluoro-17-hydroxycorticosterone | 9alpha-Fluoro-hydrocortisone | 9alpha-Fluorocortisol | BRN 3014278 | EINECS 204-833-2
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
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Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
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Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -