Cas no 2394-23-2 (Pregn-4-ene-3,20-dione,19,21-dihydroxy- (8CI,9CI))
2394-23-2 structure
Product Name:Pregn-4-ene-3,20-dione,19,21-dihydroxy- (8CI,9CI)
CAS No:2394-23-2
MF:C21H30O4
MW:346.460506916046
CID:281463
PubChem ID:164961
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,19,21-dihydroxy- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,19,21-dihydroxy- (8CI,9CI)
- (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- 19,21-Dihydroxypregn-4-ene-3,20-dione
- 19-Hydroxydesoxycorticosterone
- 19-Hydroxydeoxycorticosterone
- DTXSID20946759
- 19,21-Dihydroxypregn-4-ene-3,20-dione #
- Pregn-4-ene-3,20-dione, 19,21-dihydroxy-
- 19-OH-DOC
- 19,21-dihydroxyprogesterone
- LFISWQXWWGJHBL-ZOCXKQACSA-N
- SCHEMBL8206917
- 19-Hydroxy-11-deoxycorticosterone
- 2394-23-2
- (2S,14S,15S)-14-(2-hydroxyacetyl)-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
- CHEBI:195167
-
- Inchi： 1S/C21H30O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,15-18,22-23H,2-9,11-12H2,1H3/t15-,16-,17-,18+,20-,21+/m0/s1
- InChI Key： LFISWQXWWGJHBL-ZOCXKQACSA-N
- SMILES： OC[C@]12CCC(C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(CO)=O)CC[C@H]21)=O
Computed Properties
- Exact Mass: 346.2145
- Monoisotopic Mass: 346.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 623
- 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: 1.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.22
- Boiling Point: 538.7°Cat760mmHg
- Flash Point: 293.7°C
- Refractive Index: 1.577
- PSA: 74.6
Pregn-4-ene-3,20-dione,19,21-dihydroxy- (8CI,9CI) Related Literature
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1. New syntheses of 19,21-dihydroxypregn-4-ene-3,20-dione, 21-hydroxy-19-norpregn-4-ene-3,20-dione, and 11β,19,21-trihydroxypregn-4-ene-3,20-dioneDavid N. Kirk,Boon Leng Yeoh J. Chem. Soc. Perkin Trans. 1 1983 2945
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2. Index pages
2394-23-2 (Pregn-4-ene-3,20-dione,19,21-dihydroxy- (8CI,9CI)) Related Products
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