| SpectraBase Compound ID | FfTUtcHgso9 |
|---|---|
| InChI | InChI=1S/C51H52O22/c1-64-36-22-29(6-15-33(36)53)10-18-41(56)67-25-39-45(60)47(62)48(63)50(70-39)73-51(27-69-43(58)20-12-31-8-17-35(55)38(24-31)66-3)49(71-44(59)21-9-28-4-13-32(52)14-5-28)46(61)40(72-51)26-68-42(57)19-11-30-7-16-34(54)37(23-30)65-2/h4-24,39-40,45-50,52-55,60-63H,25-27H2,1-3H3/b18-10+,19-11+,20-12+,21-9+/t39-,40-,45-,46-,47+,48-,49+,50-,51+/m0/s1 |
| InChIKey | IZEAEHCVLNYCTN-LBGUMDENSA-N |
| Mol Weight | 1017.0 g/mol |
| Molecular Formula | C51H52O22 |
| Exact Mass | 1016.295023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PwRBob7vC3 |
|---|---|
| Name | LAPATHOSIDE-B;1,6,6'-TRIFERULOYL-3-P-COUMAROYL-SUCROSE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H52O22 |
| InChI | InChI=1S/C51H52O22/c1-64-36-22-29(6-15-33(36)53)10-18-41(56)67-25-39-45(60)47(62)48(63)50(70-39)73-51(27-69-43(58)20-12-31-8-17-35(55)38(24-31)66-3)49(71-44(59)21-9-28-4-13-32(52)14-5-28)46(61)40(72-51)26-68-42(57)19-11-30-7-16-34(54)37(23-30)65-2/h4-24,39-40,45-50,52-55,60-63H,25-27H2,1-3H3/b18-10+,19-11+,20-12+,21-9+/t39-,40-,45-,46-,47+,48-,49+,50-,51+/m0/s1 |
| InChIKey | IZEAEHCVLNYCTN-LBGUMDENSA-N |
| Literature Reference Author | M.TAKASAKI,S.KUROKI,M.KOZUKA,T.KONOSHIMA |
| Literature Reference Citation | J.NAT.PROD.,64,1305(2001) |
| Literature Reference DOI | 10.1021/np010222q |
| Molecular Weight | 1016.961 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2129 |