Cas no 1134138-83-2 ((1S,7S,8R,9S)-11-acetoxy-10-hydroxy-1,7-diisovaleroxyvaltrate hydrin)
1134138-83-2 structure
Product Name:(1S,7S,8R,9S)-11-acetoxy-10-hydroxy-1,7-diisovaleroxyvaltrate hydrin
CAS No:1134138-83-2
MF:C22H32O9
MW:440.484087944031
CID:2001309
PubChem ID:42640471
Update Time:2025-04-21
(1S,7S,8R,9S)-11-acetoxy-10-hydroxy-1,7-diisovaleroxyvaltrate hydrin Chemical and Physical Properties
Names and Identifiers
-
- (1S,7S,8R,9S)-11-acetoxy-10-hydroxy-1,7-diisovaleroxyvaltrate hydrin
- jatamanvaltrate K
- (+)-Jatamanvaltrate K
- 1134138-83-2
- [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-7-hydroxy-7-(hydroxymethyl)-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylbutanoate
- CHEMBL551356
- JATAMANVALTRic acid K
- ((1S,6S,7R,7aS)-4-(acetyloxymethyl)-7-hydroxy-7-(hydroxymethyl)-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta(c)pyran-6-yl) 3-methylbutanoate
-
- Inchi： 1S/C22H32O9/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,23,27H,6-7,9,11H2,1-5H3
- InChI Key： BKKCPVJHKOCEPK-UHFFFAOYSA-N
- SMILES： CC(CC(OC1C(CO)(O)C2C(OC=C(C2=C1)COC(=O)C)OC(CC(C)C)=O)=O)C
Computed Properties
- Exact Mass: 440.20463259Da
- Monoisotopic Mass: 440.20463259Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 31
- Rotatable Bond Count: 12
- Complexity: 752
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.038
- Topological Polar Surface Area: 129?2
(1S,7S,8R,9S)-11-acetoxy-10-hydroxy-1,7-diisovaleroxyvaltrate hydrin Related Literature
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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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
1134138-83-2 ((1S,7S,8R,9S)-11-acetoxy-10-hydroxy-1,7-diisovaleroxyvaltrate hydrin) Related Products
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