Cas no 2259-89-4 (Estra-1,3,5(10)-triene-2,17-diol,(17b)- (9CI))
2259-89-4 structure
Product Name:Estra-1,3,5(10)-triene-2,17-diol,(17b)- (9CI)
CAS No:2259-89-4
MF:C18H24O2
MW:272.381965637207
CID:255459
PubChem ID:233384
Update Time:2025-04-19
Estra-1,3,5(10)-triene-2,17-diol,(17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Estra-1,3,5(10)-triene-2,17-diol,(17b)- (9CI)
- (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,17-diol
- 3-Deoxy-17beta-estradiol
- 3-Deoxyestradiol
- AC1L5GLN
- AC1Q59VB
- C14239
- CHEMBL194749
- Estradiol, 3-deoxy-
- Estratriene-2,17beta-diol
- SureCN3891911
- UNII-4B7KRX7E7M
- 2259-89-4
- NSC-31873
- estra-1,3,5(10)-triene-2,17-diol
- 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,17-diol
- DTXSID20945242
- NSC31873
-
- Inchi： 1S/C18H24O2/c1-18-9-8-13-14(16(18)6-7-17(18)20)5-3-11-2-4-12(19)10-15(11)13/h2,4,10,13-14,16-17,19-20H,3,5-9H2,1H3
- InChI Key： YEOSPIFUAAHCPK-UHFFFAOYSA-N
- SMILES： OC1CCC2C3CCC4C=CC(=CC=4C3CCC21C)O
Computed Properties
- Exact Mass: 272.17772
- Monoisotopic Mass: 272.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 40.5A^2
Experimental Properties
- Density: 1.17
- Boiling Point: 435.6°C at 760 mmHg
- Flash Point: 204°C
- Refractive Index: 1.599
- PSA: 40.46
- LogP: 3.60920
Estra-1,3,5(10)-triene-2,17-diol,(17b)- (9CI) Related Literature
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
2259-89-4 (Estra-1,3,5(10)-triene-2,17-diol,(17b)- (9CI)) Related Products
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