| SpectraBase Compound ID | 4toMfeG2qZY |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)33(21(3)53-34)56-35-31(47)29(45)28(44)23(18-43)54-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21+,23+,24?,25?,26+,27?,28+,29-,30+,31+,32-,33+,34+,35-,39+,40-,41+,42-/m1/s1 |
| InChIKey | IIIOQVDDEWZCEQ-RIAOPKDHSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LS0gTIa6OOD |
|---|---|
| Name | RUBELLOSIDE_A;QUINOVIC_ACID-3-BETA-O-BETA-D-GLUCOPYRANOSYL-(1->4-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)33(21(3)53-34)56-35-31(47)29(45)28(44)23(18-43)54-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21+,23+,24?,25?,26+,27?,28+,29-,30+,31+,32-,33+,34+,35-,39+,40-,41+,42-/m1/s1 |
| InChIKey | IIIOQVDDEWZCEQ-RIAOPKDHSA-N |
| Literature Reference Author | S.Y.FANG,Z.S.HE,J.H.GAO,P.WANG |
| Literature Reference Citation | PHYTOCHEM.,39,1241(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00119-R |
| Molecular Weight | 794.978 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7720 |