Cas no 115288-31-8 (Pregn-4-ene-3,20-dione,11,18,19,21-tetrahydroxy-, (11b)- (9CI))
115288-31-8 structure
Product Name:Pregn-4-ene-3,20-dione,11,18,19,21-tetrahydroxy-, (11b)- (9CI)
CAS No:115288-31-8
MF:C21H30O6
MW:378.459307193756
CID:140149
PubChem ID:130778
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,11,18,19,21-tetrahydroxy-, (11b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,11,18,19,21-tetrahydroxy-, (11b)- (9CI)
- (8S,9S,10S,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- 18,19-dihydroxycorticosterone
- (11beta)-11,18,19,21-tetrahydroxypregn-4-ene-3,20-dione
- 18,19-Dhco
- Pregn-4-ene-3,20-dione, 11,18,19,21-tetrahydroxy-, (11beta)-
- 11,18,19,21-Tetrahydroxypregn-4-ene-3,20-dione
- DTXSID80921668
- 115288-31-8
-
- Inchi： 1S/C21H30O6/c22-9-18(27)16-4-3-15-14-2-1-12-7-13(25)5-6-20(12,10-23)19(14)17(26)8-21(15,16)11-24/h7,14-17,19,22-24,26H,1-6,8-11H2/t14-,15-,16+,17-,19+,20+,21+/m0/s1
- InChI Key： LRKLVKDUKYGITM-PUGGLORVSA-N
- SMILES： O[C@H]1C[C@]2(CO)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(CO)[C@H]21)=O
Computed Properties
- Exact Mass: 378.2043
- Monoisotopic Mass: 378.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 672
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.5
- Topological Polar Surface Area: 115?2
Experimental Properties
- Density: 1.35
- Boiling Point: 631.5°Cat760mmHg
- Flash Point: 349.7°C
- Refractive Index: 1.613
- PSA: 115.06
Pregn-4-ene-3,20-dione,11,18,19,21-tetrahydroxy-, (11b)- (9CI) Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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