| SpectraBase Compound ID | 7ZDtG92bNSt |
|---|---|
| InChI | InChI=1S/C46H74O20S/c1-21(2)14-22-15-44(7,54)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,65-22)59-20-45)62-40-36(64-38-32(52)30(50)25(16-47)60-38)34(24(49)18-58-40)63-39-33(53)31(51)35(26(17-48)61-39)66-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/p-1/t22?,23-,24?,25?,26?,27+,28+,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,42+,43+,44?,45-,46?/m1/s1 |
| InChIKey | NHGIBGKFDAJPJS-CDGFNODZSA-M |
| Mol Weight | 978.1 g/mol |
| Molecular Formula | C46H73O20S |
| Exact Mass | 977.441591 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 | 4K4XZe3Apya |
|---|---|
| Name | Jujubogenin-3-O.alpha.-L-arabino-furanosyl-(1->2)-[.beta.-D-glucopyranosyl-(1->3).alpha.-L-arabinopyranoside-4'''-O-sulfate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H73O20S |
| InChI | InChI=1S/C46H74O20S/c1-21(2)14-22-15-44(7,54)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,65-22)59-20-45)62-40-36(64-38-32(52)30(50)25(16-47)60-38)34(24(49)18-58-40)63-39-33(53)31(51)35(26(17-48)61-39)66-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/p-1/t22?,23-,24?,25?,26?,27+,28+,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,42+,43+,44?,45-,46?/m1/s1 |
| InChIKey | NHGIBGKFDAJPJS-CDGFNODZSA-M |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 23, 2597 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |