![(3R)-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANOL-3-O-[2,6-BIS-O-(BETA-D-APIOFURANOSYL)-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/38jSzV9XeDA/structure.png?h=300&w=458 "(3R)-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANOL-3-O-[2,6-BIS-O-(BETA-D-APIOFURANOSYL)-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | IInRxCa0g8E |
|---|---|
| InChI | InChI=1S/C35H50O16/c36-16-34(44)18-47-32(29(34)42)46-15-25-26(40)27(41)28(51-33-30(43)35(45,17-37)19-48-33)31(50-25)49-24(14-9-21-7-12-23(39)13-8-21)4-2-1-3-20-5-10-22(38)11-6-20/h5-8,10-13,24-33,36-45H,1-4,9,14-19H2/t24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35-/m0/s1 |
| InChIKey | ZYZHMHXSPPAVCD-CAYXUQGQSA-N |
| Mol Weight | 726.8 g/mol |
| Molecular Formula | C35H50O16 |
| Exact Mass | 726.309886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 38jSzV9XeDA |
|---|---|
| Name | (3R)-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANOL 3-O-[2,6-BIS-O-(beta-D-APIOFURANOSYL)-beta-D-GLUCOPYRANOSIDE] |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H50O16 |
| InChI | InChI=1S/C35H50O16/c36-16-34(44)18-47-32(29(34)42)46-15-25-26(40)27(41)28(51-33-30(43)35(45,17-37)19-48-33)31(50-25)49-24(14-9-21-7-12-23(39)13-8-21)4-2-1-3-20-5-10-22(38)11-6-20/h5-8,10-13,24-33,36-45H,1-4,9,14-19H2/t24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35-/m0/s1 |
| InChIKey | ZYZHMHXSPPAVCD-CAYXUQGQSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |