Cas no 108646-70-4 (19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol,(17a)-)
108646-70-4 structure
Product Name:19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol,(17a)-
CAS No:108646-70-4
MF:C20H24O3
MW:312.402766227722
CID:145191
PubChem ID:21121304
Update Time:2025-04-19
19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol,(17a)- Chemical and Physical Properties
Names and Identifiers
-
- 19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol,(17a)-
- ethinyl estriol
- 17-ethynylestra-1,3,5(10)-triene-3,6,17-triol
- 19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (17alpha)-
- Ethynyl estriol
- (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
- SCHEMBL6513659
- 108646-70-4
-
- Inchi： 1S/C20H24O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,4-5,10,14-15,17-18,21-23H,6-9,11H2,2H3/t14-,15-,17+,18?,19+,20+/m1/s1
- InChI Key： XFBUZQAUNLRYCT-TXFRKKNYSA-N
- SMILES： O[C@@]1(C#C)CC[C@H]2[C@@H]3CC(C4C=C(C=CC=4[C@H]3CC[C@@]21C)O)O
Computed Properties
- Exact Mass: 312.172545
- Monoisotopic Mass: 312.172545
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 536
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 60.7
Experimental Properties
- Density: 1.28
- Boiling Point: 500.4°Cat760mmHg
- Flash Point: 233°C
- Refractive Index: 1.643
19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol,(17a)- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
108646-70-4 (19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol,(17a)-) Related Products
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