![6'-DE-O-ACETYLCUPACINOSIDE;1-O-[2'',3'',4''-TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1''->2')-BETA-D-GLUCOPYRANOSYL]-(2-E,7-E,12-E)-](/api/spectrum/BUtvdxTB5TC/structure.png?h=300&w=458 "6'-DE-O-ACETYLCUPACINOSIDE;1-O-[2'',3'',4''-TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1''->2')-BETA-D-GLUCOPYRANOSYL]-(2-E,7-E,12-E)-")
| SpectraBase Compound ID | CLxZCuPlInX |
|---|---|
| InChI | InChI=1S/C38H60O13/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-18-25(5)19-20-45-37-34(32(44)31(43)30(21-39)50-37)51-38-36(49-29(9)42)35(48-28(8)41)33(26(6)46-38)47-27(7)40/h13,15,17,19,26,30-39,43-44H,10-12,14,16,18,20-21H2,1-9H3/b23-15+,24-17+,25-19+/t26-,30-,31-,32+,33-,34-,35+,36+,37-,38-/m0/s1 |
| InChIKey | PGXNHZIZPQGRHQ-COVMUYGISA-N |
| Mol Weight | 724.9 g/mol |
| Molecular Formula | C38H60O13 |
| Exact Mass | 724.403392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUtvdxTB5TC |
|---|---|
| Name | 6'-DE-O-ACETYLCUPACINOSIDE;1-O-[2'',3'',4''-TRI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1''->2')-BETA-D-GLUCOPYRANOSYL]-(2-E,7-E,12-E)- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O13 |
| InChI | InChI=1S/C38H60O13/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-18-25(5)19-20-45-37-34(32(44)31(43)30(21-39)50-37)51-38-36(49-29(9)42)35(48-28(8)41)33(26(6)46-38)47-27(7)40/h13,15,17,19,26,30-39,43-44H,10-12,14,16,18,20-21H2,1-9H3/b23-15+,24-17+,25-19+/t26-,30-,31-,32+,33-,34-,35+,36+,37-,38-/m0/s1 |
| InChIKey | PGXNHZIZPQGRHQ-COVMUYGISA-N |
| Literature Reference Author | M.S.GACHET,O.KUNERT,M.KAISER,R.BRUN,M.ZEHL,W.KELLER,R.A.MUNO Z,R.BAUER,W.SCHUEHLY |
| Literature Reference Citation | J.NAT.PROD.,74,559(2011) |
| Literature Reference DOI | 10.1021/np100415m |
| Molecular Weight | 724.887 g/mol |
| Sample ID | 37367 |
| Solvent | CDCl3 |