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Hydrocortisone Acetate

CAS: 50-03-3 | C23H32O6

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 50-03-3
Molecular Formula: C23H32O6
Molecular Weight: 404.5030000000002 g/mol

Names and Synonyms:

Hydrocortisone Acetate
4-Pregnene-11β,17,21-triol-3,20-dione 21-acetate
Hydrocort acetate
Corticaine
NSC 741
Lanacort
Cortifoam
Cordes
Anusol HC
Hydrocal
CaldeCort
Efcolin
Colofoam
Cortril acetate AS
Colifoam
Sintotrat
Cortaid
Sigmacort
Lenirit
Hc 45
Velopural
Proctocort
Wycort
Cortell
Cortacream
Chemysone
Biocortar
Berlison F
Bambicort
Abbocort
17α-Hydroxycorticosterone acetate
Hydrocortistab
21-Acetoxy-11β,17-dihydroxypregn-4-en-3,20-dione
21-Acetoxy-11β,17-dihydroxypregn-4-ene-3,20-dione
Hydroxycorticosterone acetate
11β,17α,21-Trihydroxypregn-4-ene-3,20-dione 21-acetate
Pabracort
Isopto-Hydrocortisone
17-Hydroxycorticosterone 21-acetate
Hydrocortone acetate
Hydrocortisone acetate
Hydrocortisone 21-acetate
Hydrocortisat
Hydrin 2
Hycortole acetate
HA
Cortril acetate
Cortef acetate
21-Acetoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione
(11β)-21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione
Cortisol, 21-acetate
Cortisol acetate
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11β)-

Identifiers:

SMILES:
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI:
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 404.50 g/mol Legacy Database
cas-canonical-smile O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C None Legacy Database
cas-inchi InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 None Legacy Database
cas-inchi-key InChIKey=ALEXXDVDDISNDU-JZYPGELDSA-N None Legacy Database
cas-melting-point 223 °C (decomp) None Legacy Database
cas-name Hydrocortisone acetate None Legacy Database
LogP 2.3524000000000003 RDKit

Molecular

Property Value Source
Molecular Weight 404.5030000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 404.219888744 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 29 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 100.90000000000002 Ų RDKit

Molar

Property Value Source
Molar Refractivity 104.68960000000006 RDKit

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