| SpectraBase Compound ID | 9mYuEUgjyJt |
|---|---|
| InChI | InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(15-32(60)18-34)42-43-36(19-33(61)20-37(43)70-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)16-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(41)71-52(44)26-7-13-31(59)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1-/t39-,40+,42-,44+,45-,46+,47+,48-,49-,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | VKKUIYOSAFMZQL-NACAFHPJSA-N |
| Mol Weight | 1005.0 g/mol |
| Molecular Formula | C54H52O19 |
| Exact Mass | 1004.310279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BwNcK36rSF |
|---|---|
| Name | FOENICULOSIDE-XI;CIS-MIYABENOL-C-11A,13C-BIS-(BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H52O19 |
| InChI | InChI=1S/C54H52O19/c55-22-39-45(62)47(64)49(66)53(72-39)68-34-17-28(15-32(60)18-34)42-43-36(19-33(61)20-37(43)70-51(42)25-5-11-30(58)12-6-25)44-41-27(4-1-24-2-9-29(57)10-3-24)16-35(69-54-50(67)48(65)46(63)40(23-56)73-54)21-38(41)71-52(44)26-7-13-31(59)14-8-26/h1-21,39-40,42,44-67H,22-23H2/b4-1-/t39-,40+,42-,44+,45-,46+,47+,48-,49-,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | VKKUIYOSAFMZQL-NACAFHPJSA-N |
| Literature Reference Author | S.D.MARINO,F.GALA,N.BORBONE,F.ZOLLO,S.VITALINI,F.VISIOLI,M.I ORIZZI |
| Literature Reference Citation | PHYTOCHEM.,68,1805(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.03.029 |
| Molecular Weight | 1004.995 g/mol |
| Sample ID | 42703 |
| Solvent | CD3OD |