Content deleted Content added
Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: StdInChI StdInChIKey. |
Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref') per Chem/Drugbox validation (report [[Wikipedia_talk:Wi |
||
Line 1: | Line 1: | ||
{{chembox |
{{chembox |
||
| verifiedrevid = 399528288 |
|||
|Name=α-Antiarin <small>(top)</small> and β-Antiarin <small>(bottom)</small> |
|Name=α-Antiarin <small>(top)</small> and β-Antiarin <small>(bottom)</small> |
||
|ImageFile1=alpha-antiarin.png |
|ImageFile1=alpha-antiarin.png |
||
Line 8: | Line 9: | ||
|OtherNames= |
|OtherNames= |
||
|Section1={{Chembox Identifiers |
|Section1={{Chembox Identifiers |
||
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} |
|||
| |
| ChemSpiderID = 21477371 |
||
| InChI = 1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1 |
| InChI = 1/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1 |
||
| InChIKey = MFIXZHBJWSBQJA-OZQKXHGLBU |
| InChIKey = MFIXZHBJWSBQJA-OZQKXHGLBU |
||
Line 14: | Line 16: | ||
| InChIKey1 = MFIXZHBJWSBQJA-KRRSKSLRBU |
| InChIKey1 = MFIXZHBJWSBQJA-KRRSKSLRBU |
||
| SMILES1 = CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O |
| SMILES1 = CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O |
||
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} |
|||
| StdInChI = 1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1 |
| StdInChI = 1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1 |
||
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} |
|||
| StdInChIKey = MFIXZHBJWSBQJA-KRRSKSLRSA-N |
| StdInChIKey = MFIXZHBJWSBQJA-KRRSKSLRSA-N |
||
| CASNo=23605-05-2 |
| CASNo=23605-05-2 |
Revision as of 15:28, 29 November 2010
Names | |
---|---|
IUPAC names
α-Antiarin: (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
β-Antiarin: (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde | |
Identifiers | |
3D model (JSmol)
|
|
ChemSpider | |
PubChem CID
|
|
| |
| |
Properties | |
C29H42O11 | |
Molar mass | 566.64 g/mol |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
|
Antiarins are cardiac glycoside poisons produced by the upas tree (Antiaris toxicaria).[1] There are two forms, α-antiarin and β-antiarin.
References
- ^ Dolder, F.; Tamm, Ch.; Reichstein, T. (1955). "Glycosides and aglycons. CL. The glycosides of Antiaris toxicaria". Helvetica Chimica Acta. 38: 1364–96.
{{cite journal}}
: CS1 maint: multiple names: authors list (link)