Structural Formula Vector Image
Title: Hydrallostane
CAS Registry Number: 516-41-6
CAS Name: (5a,11b)-11,17,21-Trihydroxypregnane-3,20-dione
Additional Names: 11b,17a,21-trihydroxyallopregnane-3,20-dione; allodihydrohydrocortisone; allopregnane-11b,17a,21-triol-3,20-dione; 4,5a-dihydrocortisol; allodihydro F
Molecular Formula: C21H32O5
Molecular Weight: 364.48
Percent Composition: C 69.20%, H 8.85%, O 21.95%
Literature References: Isoln from beef and hog adrenals: Neher, Wettstein, Helv. Chim. Acta 39, 2062 (1956). Prepn: Pataki et al., J. Biol. Chem. 195, 753 (1952); Fukushima, Daum, J. Org. Chem. 26, 520 (1961); Gould, Oliveto, US 2783254; US 2897216 (1957; 1959 to Schering); Gould, Herzog, US 2783226 (1957 to Schering); GB 742888 (1956 to Syntex).
Properties: Crystals, mp 234-240°. [a]D25 +83° (acetone). Practically insol in water. Sol in methanol, acetone, chloroform.
Melting point: mp 234-240°
Optical Rotation: [a]D25 +83° (acetone)
Derivative Type: 21-Acetate
Molecular Formula: C23H34O6
Molecular Weight: 406.51
Percent Composition: C 67.96%, H 8.43%, O 23.61%
Properties: Crystals from hexane + ethyl acetate, mp 211-213°. [a]D20 +69° (chloroform).
Melting point: mp 211-213°
Optical Rotation: [a]D20 +69° (chloroform)
Derivative Type: 21-tert-Butylacetate
Molecular Formula: C27H42O6
Molecular Weight: 462.62
Percent Composition: C 70.10%, H 9.15%, O 20.75%
Properties: Crystals from ethanol, mp 256-264° (also crystallizes as a hydrate). Sol in chloroform, oils, fats.
Melting point: mp 256-264° (also crystallizes as a hydrate)

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