Cas no 184432-08-4 (Androsta-11,16-diene-14-carboxylic acid, 4,4,8,12,16-pentamethyl-17-hydroxy-3,15-dioxo-, methyl ester, (5β,8α,9β,10α,13α)-)
184432-08-4 structure
Product Name:Androsta-11,16-diene-14-carboxylic acid, 4,4,8,12,16-pentamethyl-17-hydroxy-3,15-dioxo-, methyl ester, (5β,8α,9β,10α,13α)-
CAS No:184432-08-4
MF:C26H36O5
MW:428.56104850769
CID:2723282
PubChem ID:10477690
Update Time:2024-03-01
Androsta-11,16-diene-14-carboxylic acid, 4,4,8,12,16-pentamethyl-17-hydroxy-3,15-dioxo-, methyl ester, (5β,8α,9β,10α,13α)- Chemical and Physical Properties
Names and Identifiers
-
- Androsta-11,16-diene-14-carboxylic acid, 4,4,8,12,16-pentamethyl-17-hydroxy-3,15-dioxo-, methyl ester, (5β,8α,9β,10α,13α)-
- 184432-08-4
- Andrastin D
- CHEBI:142874
- Q63399727
- methyl (5S,8S,9S,10R,13R,14R)-17-hydroxy-4,4,8,10,12,13,16-heptamethyl-3,15-dioxo-1,2,5,6,7,9-hexahydrocyclopenta[a]phenanthrene-14-carboxylate
- methyl (5beta,8alpha,9beta,10alpha,13alpha)-15-hydroxy-4,4,8,12,16-pentamethyl-3,17-dioxoandrosta-11,15-diene-14-carboxylate
- methyl 15-hydroxy-4,4,8alpha,12,16-pentamethyl-3,17-dioxo-5beta,9beta,10alpha,13alpha-androsta-11,15-diene-14-carboxylate
- NS00094949
- DTXSID80894025
-
- Inchi： 1S/C26H36O5/c1-14-13-17-23(5)11-10-18(27)22(3,4)16(23)9-12-24(17,6)26(21(30)31-8)20(29)15(2)19(28)25(14,26)7/h13,16-17,28H,9-12H2,1-8H3/t16-,17+,23-,24+,25+,26-/m1/s1
- InChI Key： SMUNNMAWNRFDPB-UWWAQUNASA-N
- SMILES： C([C@@]12C(C(C)=C(O)[C@@]1(C(C)=C[C@@]1([H])[C@@]3(CCC(=O)C(C)(C)[C@@]3([H])CC[C@]21C)C)C)=O)(=O)OC
Computed Properties
- Exact Mass: 428.25627424g/mol
- Monoisotopic Mass: 428.25627424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 31
- Rotatable Bond Count: 2
- Complexity: 970
- 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: 4.49
- Topological Polar Surface Area: 80.7?2
Androsta-11,16-diene-14-carboxylic acid, 4,4,8,12,16-pentamethyl-17-hydroxy-3,15-dioxo-, methyl ester, (5β,8α,9β,10α,13α)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
184432-08-4 (Androsta-11,16-diene-14-carboxylic acid, 4,4,8,12,16-pentamethyl-17-hydroxy-3,15-dioxo-, methyl ester, (5β,8α,9β,10α,13α)-) Related Products
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