![ALTERNAROSIDE_C;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-Z)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXYOCTADEAC-4,8-DIEN-2-YL]-OCTADEAC-3-ENAMIDE](/api/spectrum/16VwpgYBtrU/structure.png?h=300&w=458 "ALTERNAROSIDE_C;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-Z)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXYOCTADEAC-4,8-DIEN-2-YL]-OCTADEAC-3-ENAMIDE")
| SpectraBase Compound ID | 75KfAm98LAT |
|---|---|
| InChI | InChI=1S/C42H77NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28-31,34-40,42,44-49H,3-19,21,23-27,32-33H2,1-2H3,(H,43,50)/b22-20+,30-28-,31-29+/t34-,35+,36+,37-,38-,39+,40-,42-/m0/s1 |
| InChIKey | GITZFVKUUYAFTR-AYUSEHHXSA-N |
| Mol Weight | 740.1 g/mol |
| Molecular Formula | C42H77NO9 |
| Exact Mass | 739.559833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16VwpgYBtrU |
|---|---|
| Name | ALTERNAROSIDE_C;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-Z)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXYOCTADEAC-4,8-DIEN-2-YL]-OCTADEAC-3-ENAMIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H77NO9 |
| InChI | InChI=1S/C42H77NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,28-31,34-40,42,44-49H,3-19,21,23-27,32-33H2,1-2H3,(H,43,50)/b22-20+,30-28-,31-29+/t34-,35+,36+,37-,38-,39+,40-,42-/m0/s1 |
| InChIKey | GITZFVKUUYAFTR-AYUSEHHXSA-N |
| Literature Reference Author | W.WANG,Y.WANG,H.TAO,X.PENG,P.LIU,W.ZHU |
| Literature Reference Citation | J.NAT.PROD.,72,1695(2009) |
| Literature Reference DOI | 10.1021/np9002299 |
| Molecular Weight | 740.075 g/mol |
| Sample ID | 33589 |
| Solvent | DMSO-D6 |