Cas no 35800-55-6 (Estr-4-en-3-one,17-[(1-oxopentyl)oxy]-, (17b)- (9CI))
![Estr-4-en-3-one,17-[(1-oxopentyl)oxy]-, (17b)- (9CI) structure](https://ossimg.kuujia.com/scimg/36000/35800-55-6x500.png)
35800-55-6 structure
Product Name:Estr-4-en-3-one,17-[(1-oxopentyl)oxy]-, (17b)- (9CI)
CAS No:35800-55-6
MF:C23H34O3
MW:358.514267444611
CID:313455
PubChem ID:56843028
Update Time:2025-04-19
Estr-4-en-3-one,17-[(1-oxopentyl)oxy]-, (17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Estr-4-en-3-one,17-[(1-oxopentyl)oxy]-, (17b)- (9CI)
- [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
- 17beta-Hydroxyestr-4-en-3-one 17-valerate
- 35800-55-6
- EINECS 252-735-3
- DTXSID10189335
- NS00029921
-
- Inchi： 1S/C23H34O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h14,17-21H,3-13H2,1-2H3/t17-,18+,19+,20-,21-,23-/m0/s1
- InChI Key： BCQGHMNTFIFCQJ-ZBVDZRMISA-N
- SMILES： O(C(CCCC)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 358.25079494g/mol
- Monoisotopic Mass: 358.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 607
- 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: 4.6
- Topological Polar Surface Area: 43.4?2
Estr-4-en-3-one,17-[(1-oxopentyl)oxy]-, (17b)- (9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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