Cas no 57706-68-0 (methyl (3beta,5alpha)-3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate)
57706-68-0 structure
Product Name:methyl (3beta,5alpha)-3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate
CAS No:57706-68-0
MF:C30H46O6
MW:502.682650089264
CID:947442
PubChem ID:234384
Update Time:2025-04-19
methyl (3beta,5alpha)-3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate Chemical and Physical Properties
Names and Identifiers
-
- methyl (3beta,5alpha)-3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate
- 3β-Acetoxy-7,11-dioxo-4,4,14α-trimethyl-5α-cholan-24-oic acid methyl ester
- 3??-acetoxy-25,26,27-trinorlanostane-7,11-dione-24-carboxylic acid methyl ester
- 3??-acetoxy-7,11-dioxo-25,26,27-trinor-lanostan-24-oic acid methyl ester
- 3??-Acetoxy-7,11-dioxo-25,26,27-trinor-lanostan-24-saeure-methylester
- 3??-Acetoxy-7,11-dioxo-4,4,14??-trimethyl-5??-cholan-24-oic acid methyl ester
- DTXSID00973301
- Methyl 3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate
- NSC34202
- NSC-34202
- Cholan-24-oic acid, 3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxo-, methyl ester, (3-beta-5-
- 57706-68-0
- Cholan-24-oic acid,4,14-trimethyl-7,11-dioxo-, methyl ester, (3.beta.,5.alpha.)-
-
- Inchi： 1S/C30H46O6/c1-17(9-10-24(34)35-8)19-11-14-29(6)26-20(32)15-22-27(3,4)23(36-18(2)31)12-13-28(22,5)25(26)21(33)16-30(19,29)7/h17,19,22-23,25-26H,9-16H2,1-8H3
- InChI Key： RRLQFRDSIPCQPW-UHFFFAOYSA-N
- SMILES： C12C(C(CC3(C(C(CCC(OC)=O)C)CCC31C)C)=O)C1(C(C(C(CC1)OC(C)=O)(C)C)CC2=O)C
Computed Properties
- Exact Mass: 502.32958
- Monoisotopic Mass: 502.32943918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 36
- Rotatable Bond Count: 7
- Complexity: 953
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.837
- Topological Polar Surface Area: 86.7?2
Experimental Properties
- PSA: 86.74
- LogP: 5.55050
methyl (3beta,5alpha)-3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate Related Literature
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
57706-68-0 (methyl (3beta,5alpha)-3-(acetyloxy)-4,4,14-trimethyl-7,11-dioxocholan-24-oate) Related Products
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