Cas no 23637-93-6 (Estra-1,3,5(10)-triene-3,17-diol,11-methyl-, (11b,17b)-)
23637-93-6 structure
Product Name:Estra-1,3,5(10)-triene-3,17-diol,11-methyl-, (11b,17b)-
CAS No:23637-93-6
MF:C19H26O2
MW:286.408545970917
CID:257945
PubChem ID:23619914
Update Time:2025-04-19
Estra-1,3,5(10)-triene-3,17-diol,11-methyl-, (11b,17b)- Chemical and Physical Properties
Names and Identifiers
-
- Estra-1,3,5(10)-triene-3,17-diol,11-methyl-, (11b,17b)-
- 11beta-Methyl-estra-1,3,5(10)-triene-3,17beta-diol
- 52R3HC3JR7
- Estra-1,3,5(10)-triene-3,17beta-diol, 11beta-methyl-
- (11beta,17beta)-11-methylestra-1,3,5(10)-triene-3,17-diol
- 23637-93-6
- CCRIS 7202
- Estra-1,3,5(10)-triene-3,17-diol, 11-methyl-, (11beta,17beta)-
- ESTRA-1,3,5(10)-TRIENE-3,17-beta-DIOL, 11-beta-METHYL-
- (1S,3aS,3bS,9bS,10S,11aS)-10,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
- 11-beta-Methylestradiol
- 11beta-Methylestradiol
- Methylestradiol, 11beta-
- CHEMBL1628175
-
- Inchi： 1S/C19H26O2/c1-11-10-19(2)16(7-8-17(19)21)15-5-3-12-9-13(20)4-6-14(12)18(11)15/h4,6,9,11,15-18,20-21H,3,5,7-8,10H2,1-2H3/t11-,15-,16-,17-,18+,19-/m0/s1
- InChI Key： DMSFWIJHZMGIJI-ARHYUZGJSA-N
- SMILES： O[C@H]1CC[C@H]2[C@@H]3CCC4C=C(C=CC=4[C@H]3[C@@H](C)C[C@@]21C)O
Computed Properties
- Exact Mass: 286.19338
- Monoisotopic Mass: 286.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 408
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 40.5
Experimental Properties
- Density: 1.133
- Boiling Point: 449.8°C at 760 mmHg
- Flash Point: 208.4°C
- Refractive Index: 1.581
- PSA: 40.46
Estra-1,3,5(10)-triene-3,17-diol,11-methyl-, (11b,17b)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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