| SpectraBase Compound ID | 9OccWSV0Ea |
|---|---|
| InChI | InChI=1S/C44H66O19/c1-18-24(21-12-30(47)56-16-21)9-11-44(54)25-7-6-22-13-23(8-10-43(22,4)27(25)14-26(18)44)60-42-39(59-20(3)46)38(55-5)37(19(2)58-42)63-41-36(53)34(51)32(49)29(62-41)17-57-40-35(52)33(50)31(48)28(15-45)61-40/h12,19,22-29,31-42,45,48-54H,1,6-11,13-17H2,2-5H3/t19-,22+,23-,24-,25+,26+,27?,28-,29-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | JOEXJCPNIWTNRP-KISPXYSASA-N |
| Mol Weight | 899.0 g/mol |
| Molecular Formula | C44H66O19 |
| Exact Mass | 898.41983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4xZtE1u3gG |
|---|---|
| Name | THEVETIOSIDE-G;THEVETIOGENIN-BETA-GENTIOBIOSYL-(1->4)-2'-O-ACETYL-ALPHA-L-THEVETOPYRANOSIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H66O19 |
| InChI | InChI=1S/C44H66O19/c1-18-24(21-12-30(47)56-16-21)9-11-44(54)25-7-6-22-13-23(8-10-43(22,4)27(25)14-26(18)44)60-42-39(59-20(3)46)38(55-5)37(19(2)58-42)63-41-36(53)34(51)32(49)29(62-41)17-57-40-35(52)33(50)31(48)28(15-45)61-40/h12,19,22-29,31-42,45,48-54H,1,6-11,13-17H2,2-5H3/t19-,22+,23-,24-,25+,26+,27?,28-,29-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43-,44-/m0/s1 |
| InChIKey | JOEXJCPNIWTNRP-KISPXYSASA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,31,251(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83047-O |
| Molecular Weight | 898.997 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5302 |