| SpectraBase Compound ID | 4Ir0gU64OIY |
|---|---|
| InChI | InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3/b20-5-/t21?,23?,28-,29+,31-,32+,33+,34-,35-,36+,37+,38+,40-,41+,42-,43+/m1/s1 |
| InChIKey | URBPIXMUXQEKHZ-CZXROYFRSA-N |
| Mol Weight | 922.9 g/mol |
| Molecular Formula | C43H54O22 |
| Exact Mass | 922.310673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xCyvw4QDvC |
|---|---|
| Name | SAMBACOLIGNOSIDE |
| Compound Number | 221 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H54O22 |
| InChI | InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3/b20-5-/t21?,23?,28-,29+,31-,32+,33+,34-,35-,36+,37+,38+,40-,41+,42-,43+/m1/s1 |
| InChIKey | URBPIXMUXQEKHZ-CZXROYFRSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 922.889 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS4519 |