Cas no 31065-03-9 (Pregn-4-ene-3,6,20-trione,17-(acetyloxy)-16-methylene- (9CI))
31065-03-9 structure
Product Name:Pregn-4-ene-3,6,20-trione,17-(acetyloxy)-16-methylene- (9CI)
CAS No:31065-03-9
MF:C24H30O5
MW:398.492007732391
CID:317708
PubChem ID:251926
Update Time:2025-04-19
Pregn-4-ene-3,6,20-trione,17-(acetyloxy)-16-methylene- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,6,20-trione,17-(acetyloxy)-16-methylene- (9CI)
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-16-methylidene-3,6-dioxo-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- CDB 2914
- CDB-2914
- CHEBI:71025
- Ella
- Ulipristal acetate
- Ulipristal acetate (USAN)
- Ulipristal acetate [USAN]
- VA2914
- NSC-72954
- DTXSID30291065
- NSC72954
- 31065-03-9
- 16-methylidene-3,6,20-trioxopregn-4-en-17-yl acetate
-
- Inchi： 1S/C24H30O5/c1-13-10-19-17-12-21(28)20-11-16(27)6-8-22(20,4)18(17)7-9-23(19,5)24(13,14(2)25)29-15(3)26/h11,17-19H,1,6-10,12H2,2-5H3/t17-,18+,19+,22-,23+,24+/m1/s1
- InChI Key： NQOUAHOEFFCFHL-USYNNDFZSA-N
- SMILES： O(C(C)=O)[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CC(C4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O)=O
Computed Properties
- Exact Mass: 398.2094
- Monoisotopic Mass: 398.20932405g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 3
- Complexity: 882
- 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: 2.5
- Topological Polar Surface Area: 77.5?2
Experimental Properties
- PSA: 77.51
Pregn-4-ene-3,6,20-trione,17-(acetyloxy)-16-methylene- (9CI) Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
31065-03-9 (Pregn-4-ene-3,6,20-trione,17-(acetyloxy)-16-methylene- (9CI)) Related Products
- 2919-66-6(Melengestrol acetate)
- 2645-97-8(19-Nor-9b,10a-pregn-4-ene-3,20-dione, 17-hydroxy-, acetate(7CI,8CI))
- 6199-67-3(Cucurbitacin B)
- 7759-35-5(Nestoron)
- 25092-41-5(17α-Acetyloxy-11β-methyl-19-norprogesterone)
- 104700-95-0(Lanost-8-en-26-oicacid, 12-(acetyloxy)-3,7-dihydroxy-11,15,23-trioxo-, (3b,7b,12b)-)
- 17278-28-3(Isocucurbitacin B)
- 29400-42-8(Helvolic Acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
Recommended suppliers
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
