Cas no 1173-27-9 (Pregn-4-ene-3,11,20-trione,21-(acetyloxy)-)
1173-27-9 structure
Product Name:Pregn-4-ene-3,11,20-trione,21-(acetyloxy)-
CAS No:1173-27-9
MF:C23H30O5
MW:386.481307506561
CID:178012
PubChem ID:102006
Update Time:2025-04-19
Pregn-4-ene-3,11,20-trione,21-(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,11,20-trione,21-(acetyloxy)-
- 11-Dehydrocorticosterone acetate
- 11-DEHYDROCORTICOSTERONE 21-ACETATE
- [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- QR3T9KEB4Z
- SCHEMBL7989375
- PREGN-4-ENE-3,11,20-TRIONE, 21-HYDROXY-, ACETATE
- 3,11,20-Trioxopregn-4-en-21-yl acetate
- DOETVHHSMBAUKN-GHBJZYDUSA-N
- 1173-27-9
- 21-Acetoxy-pregn-4-ene-3,11,20-trione
- Q27287456
- CORTICOSTERONE, 11-DEHYDRO-, ACETATE
- 3,11,20-Trioxopregn-4-en-21-yl acetate #
- DTXSID30922387
- Pregn-4-ene-3,11,20-trione, 21-(acetyloxy)-
- UNII-QR3T9KEB4Z
-
- Inchi: 1S/C23H30O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-18,21H,4-9,11-12H2,1-3H3/t16-,17-,18+,21+,22-,23-/m0/s1
- InChI Key: DOETVHHSMBAUKN-GHBJZYDUSA-N
- SMILES: O=C1C[C@]2(C)[C@@H](C(COC(C)=O)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
Computed Properties
- Exact Mass: 386.20932405g/mol
- Monoisotopic Mass: 386.20932405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 780
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 77.5?2
Pregn-4-ene-3,11,20-trione,21-(acetyloxy)- Related Literature
-
J. K. Norymberski J. Chem. Soc. 1956 517
-
W. Baker,D. H. Hey,F. Smith,N. Campbell,S. H. Harper,C. W. Shoppee Annu. Rep. Prog. Chem. 1947 44 82
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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