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Information card for entry 7100014
Preview
| Coordinates | 7100014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | (2S,2aS,4aR,5aS,8aS, 10aR,12aS,12bS,13aR)-4a-hydroxy-2- (1R,2R)-2-hydroxy-1-methyl-2-((2R)-4-methyl-5-oxo-2,5-dihydro-2- furanyl)ethyl-2a,10,10-trimethylperhydrofuro(3,2- b)oxireno(2'',3'':3',3a')indeno(4',5':5,6)-cyclohepta(c)furan-7-one |
|---|---|
| Formula | C29 H40 O8 |
| Calculated formula | C29 H40 O8 |
| SMILES | O1[C@@H]2CC(=O)O[C@@]32[C@H](C1(C)C)CC[C@@H]1[C@](O)(CC[C@]2([C@@]41O[C@H]4C[C@@H]2[C@H](C)[C@H](O)[C@H]1OC(=O)C(=C1)C)C)C3 |
| Title of publication | Structure and anti-HIV activity of micrandilactones B and C, new nortriterpenoids possessing a unique skeleton from Schisandra micrantha |
| Authors of publication | Li, Rong-Tao; Han, Quan-Bin; Zheng, Yong-Tang; Wang, Rui-Rui; Yang, Liu-Meng; Lu, Yang; Sang, Su-Qin; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2005 |
| Journal issue | 23 |
| Pages of publication | 2936 - 2938 |
| a | 6.501 ± 0.001 Å |
| b | 12.672 ± 0.001 Å |
| c | 32.201 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2652.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208978 (current) | 2018-07-11 | cif/7/10/ Updating bibliography in entries 7100010, 7100014, 7100015, 7101146, 7101177, 7101178, 7101179, 7101180, 7101184, 7101213, 7101214, 7101240, 7101241, 7101244, 7101245, 7101246, 7101247, 7101248, 7101281, 7101282, 7101283, 7101284. |
7100014.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7100014.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7100014.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7100014.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7100014.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7100014.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7100014.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7100014.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7100014.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7100014.cif |
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Users of the data should acknowledge the original authors of the
structural data.