Cas no 377-26-4 ([(8s,9r,10s,13s,14s,17r)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate)
![[(8s,9r,10s,13s,14s,17r)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate structure](https://ossimg.kuujia.com/scimg/500/377-26-4x500.png)
377-26-4 structure
Product Name:[(8s,9r,10s,13s,14s,17r)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate
CAS No:377-26-4
MF:C23H29FO5
MW:404.471771001816
CID:922569
PubChem ID:200135
Update Time:2025-04-19
[(8s,9r,10s,13s,14s,17r)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate Chemical and Physical Properties
Names and Identifiers
-
- [(8s,9r,10s,13s,14s,17r)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate
- A,16
- FT-0665667
- 9-fluoro-3,11,20-trioxopregn-4-en-17-yl acetate
- DTXSID80958737
- NSC-107092
- 377-26-4
- NSC107092
-
- Inchi： 1S/C23H29FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-18H,5-10,12H2,1-4H3/t17-,18-,20-,21-,22-,23?/m0/s1
- InChI Key： CPTGCTAREUTHOQ-BPOMOSBLSA-N
- SMILES： FC12C(C[C@]3(C)[C@@](C(C)=O)(CC[C@H]3[C@@H]1CCC1=CC(CC[C@]21C)=O)OC(C)=O)=O
Computed Properties
- Exact Mass: 404.19997
- Monoisotopic Mass: 404.2
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 3
- Complexity: 861
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 77.5?2
Experimental Properties
- Density: 1.24
- Boiling Point: 519.2°C at 760 mmHg
- Flash Point: 258°C
- Refractive Index: 1.541
- PSA: 77.51
- LogP: 3.68030
[(8s,9r,10s,13s,14s,17r)-17-acetyl-9-fluoro-10,13-dimethyl-3,11-dioxo-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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