Cas no 438-10-8 (Androst-5-ene-17-carboxylicacid, (17b)- (9CI))
438-10-8 structure
Product Name:Androst-5-ene-17-carboxylicacid, (17b)- (9CI)
CAS No:438-10-8
MF:C20H30O2
MW:302.451006412506
CID:329143
PubChem ID:6451988
Update Time:2025-04-19
Androst-5-ene-17-carboxylicacid, (17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androst-5-ene-17-carboxylicacid, (17b)- (9CI)
- (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
- 5-etienic acid
- Androst-5-ene-17-carboxylic acid
- 5-Androstene-17beta-carboxylic acid
- DTXSID10963117
- 438-10-8
- Androst-5-ene-17-carboxylic acid, (17beta)-
-
- Inchi： 1S/C20H30O2/c1-19-11-4-3-5-13(19)6-7-14-15-8-9-17(18(21)22)20(15,2)12-10-16(14)19/h6,14-17H,3-5,7-12H2,1-2H3,(H,21,22)/t14-,15-,16-,17+,19-,20-/m0/s1
- InChI Key： GHJGFBLULGDFKQ-UDCWSGSHSA-N
- SMILES： OC([C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 302.2247
- Monoisotopic Mass: 302.22458
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 522
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.4
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 1.1
- Boiling Point: 435.9°Cat760mmHg
- Flash Point: 206.1°C
- Refractive Index: 1.555
- PSA: 37.3
Androst-5-ene-17-carboxylicacid, (17b)- (9CI) Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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