Cas no 64109-72-4 (Estra-1,3,5(10)-triene-3,17-diol,11-ethyl-, (11b,17b)-)
64109-72-4 structure
Product Name:Estra-1,3,5(10)-triene-3,17-diol,11-ethyl-, (11b,17b)-
CAS No:64109-72-4
MF:C20H28O2
MW:300.435126304626
CID:511017
PubChem ID:23622130
Update Time:2025-04-19
Estra-1,3,5(10)-triene-3,17-diol,11-ethyl-, (11b,17b)- Chemical and Physical Properties
Names and Identifiers
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- Estra-1,3,5(10)-triene-3,17-diol,11-ethyl-, (11b,17b)-
- (8S,9S,11S,13S,14S,17S)-11-ethyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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- Inchi： 1S/C20H28O2/c1-3-12-11-20(2)17(8-9-18(20)22)16-6-4-13-10-14(21)5-7-15(13)19(12)16/h5,7,10,12,16-19,21-22H,3-4,6,8-9,11H2,1-2H3/t12-,16-,17-,18-,19+,20-/m0/s1
- InChI Key： QUXNMGWLKZIPHL-QCUBTISBSA-N
- SMILES： O[C@H]1CC[C@H]2[C@@H]3CCC4C=C(C=CC=4[C@H]3[C@@H](CC)C[C@@]21C)O
Computed Properties
- Exact Mass: 300.20904
- Monoisotopic Mass: 300.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 422
- 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: 4.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Estra-1,3,5(10)-triene-3,17-diol,11-ethyl-, (11b,17b)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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