| SpectraBase Compound ID | 5WCj9LmXfMh |
|---|---|
| InChI | InChI=1S/C38H48O20/c1-38(15-26(41)42,58-37-34(50)32(48)30(46)25(56-37)18-54-27(43)11-8-19-6-9-21(40)10-7-19)16-28(44)53-12-4-5-20-13-22(51-2)35(23(14-20)52-3)57-36-33(49)31(47)29(45)24(17-39)55-36/h4-11,13-14,24-25,29-34,36-37,39-40,45-50H,12,15-18H2,1-3H3,(H,41,42)/b5-4+,11-8+/t24-,25-,29-,30-,31+,32+,33-,34-,36+,37+,38?/m0/s1 |
| InChIKey | RBNLIMVPEJFQEZ-FZRADELZSA-N |
| Mol Weight | 824.8 g/mol |
| Molecular Formula | C38H48O20 |
| Exact Mass | 824.273894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJKKGYcjlaX |
|---|---|
| Name | CODONOSIDE-A;6'''-(TRANS)-PARA-COUMAROYL-TANGSHENOSIDE-I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H48O20 |
| InChI | InChI=1S/C38H48O20/c1-38(15-26(41)42,58-37-34(50)32(48)30(46)25(56-37)18-54-27(43)11-8-19-6-9-21(40)10-7-19)16-28(44)53-12-4-5-20-13-22(51-2)35(23(14-20)52-3)57-36-33(49)31(47)29(45)24(17-39)55-36/h4-11,13-14,24-25,29-34,36-37,39-40,45-50H,12,15-18H2,1-3H3,(H,41,42)/b5-4+,11-8+/t24-,25-,29-,30-,31+,32+,33-,34-,36+,37+,38?/m0/s1 |
| InChIKey | RBNLIMVPEJFQEZ-FZRADELZSA-N |
| Literature Reference Author | T.H.TSAI,L.C.LIN |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1546(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1546 |
| Molecular Weight | 824.787 g/mol |
| Sample ID | 2412 |
| Solvent | CD3OD |