| SpectraBase Compound ID | IkPKSzSoLgO |
|---|---|
| InChI | InChI=1S/C51H64O24/c1-26(2)19-51(50(65)68-24-30-11-16-32(17-12-30)70-48-44(63)42(61)39(58)34(22-53)72-48,20-37(56)67-23-29-9-14-31(15-10-29)69-47-43(62)41(60)38(57)33(21-52)71-47)75-49-45(64)46(40(59)35(73-49)25-66-27(3)54)74-36(55)18-13-28-7-5-4-6-8-28/h4-18,26,33-35,38-49,52-53,57-64H,19-25H2,1-3H3/b18-13-/t33-,34+,35-,38-,39+,40-,41+,42-,43-,44+,45-,46+,47-,48+,49+,51-/m0/s1 |
| InChIKey | VNORMJNLBQYATD-GJYASHIMSA-N |
| Mol Weight | 1061.0 g/mol |
| Molecular Formula | C51H64O24 |
| Exact Mass | 1060.378753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LLKdktCm3e |
|---|---|
| Name | GYMNOSIDE-X;3'''-O-CIS-CINNAMOYL-6'''-O-ACETYLDACTYLORHIN-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H64O24 |
| InChI | InChI=1S/C51H64O24/c1-26(2)19-51(50(65)68-24-30-11-16-32(17-12-30)70-48-44(63)42(61)39(58)34(22-53)72-48,20-37(56)67-23-29-9-14-31(15-10-29)69-47-43(62)41(60)38(57)33(21-52)71-47)75-49-45(64)46(40(59)35(73-49)25-66-27(3)54)74-36(55)18-13-28-7-5-4-6-8-28/h4-18,26,33-35,38-49,52-53,57-64H,19-25H2,1-3H3/b18-13-/t33-,34+,35-,38-,39+,40-,41+,42-,43-,44+,45-,46+,47-,48+,49+,51-/m0/s1 |
| InChIKey | VNORMJNLBQYATD-GJYASHIMSA-N |
| Literature Reference Author | T.MORIKAWA,H.XIE,H.MATSUDA,T.WANG,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,506(2006) |
| Literature Reference DOI | 10.1248/cpb.54.506 |
| Molecular Weight | 1061.055 g/mol |
| Sample ID | 36960 |
| Solvent | C5D5N |