| SpectraBase Compound ID | GFBryagHQ4M |
|---|---|
| InChI | InChI=1S/C46H72O16/c1-22-31(51)33(53)35(55)38(57-22)61-36-34(54)32(52)28(20-47)60-39(36)62-40(56)46-16-14-42(6,21-48)18-26(46)25-10-11-30-43(7)19-27(58-23(2)49)37(59-24(3)50)41(4,5)29(43)12-13-45(30,9)44(25,8)15-17-46/h10,22,26-39,47-48,51-55H,11-21H2,1-9H3/t22?,26-,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,42+,43?,44-,45?,46-/m1/s1 |
| InChIKey | BQHXPOLYHQNGHO-XQRCJHBTSA-N |
| Mol Weight | 881.1 g/mol |
| Molecular Formula | C46H72O16 |
| Exact Mass | 880.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PAvhlNpBMh |
|---|---|
| Name | Aquilegifolin |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C46H72O16 |
| InChI | InChI=1S/C46H72O16/c1-22-31(51)33(53)35(55)38(57-22)61-36-34(54)32(52)28(20-47)60-39(36)62-40(56)46-16-14-42(6,21-48)18-26(46)25-10-11-30-43(7)19-27(58-23(2)49)37(59-24(3)50)41(4,5)29(43)12-13-45(30,9)44(25,8)15-17-46/h10,22,26-39,47-48,51-55H,11-21H2,1-9H3/t22?,26-,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,42+,43?,44-,45?,46-/m1/s1 |
| InChIKey | BQHXPOLYHQNGHO-XQRCJHBTSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Phytochem. 24, 2655 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |