| SpectraBase Compound ID | 2vpRJlKXBkF |
|---|---|
| InChI | InChI=1S/C43H52O17/c1-50-28-10-21(8-9-27(28)46)37(47)35(17-44)59-42-31(53-4)13-23(14-32(42)54-5)40-25-19-58-41(26(25)20-57-40)24-15-33(55-6)43(34(16-24)56-7)60-36(18-45)38(48)22-11-29(51-2)39(49)30(12-22)52-3/h8-16,25-26,35-38,40-41,44-49H,17-20H2,1-7H3/t25-,26-,35?,36?,37?,38?,40+,41+/m0/s1 |
| InChIKey | PNQYLBUPZLUYBF-LPPJPXKNSA-N |
| Mol Weight | 840.9 g/mol |
| Molecular Formula | C43H52O17 |
| Exact Mass | 840.32045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2hxYXaj0nS |
|---|---|
| Name | 5''-METHOXYHEDYOTISOL_A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52O17 |
| InChI | InChI=1S/C43H52O17/c1-50-28-10-21(8-9-27(28)46)37(47)35(17-44)59-42-31(53-4)13-23(14-32(42)54-5)40-25-19-58-41(26(25)20-57-40)24-15-33(55-6)43(34(16-24)56-7)60-36(18-45)38(48)22-11-29(51-2)39(49)30(12-22)52-3/h8-16,25-26,35-38,40-41,44-49H,17-20H2,1-7H3/t25-,26-,35?,36?,37?,38?,40+,41+/m0/s1 |
| InChIKey | PNQYLBUPZLUYBF-LPPJPXKNSA-N |
| Literature Reference Author | X.W.YANG,P.J.ZHAO,Y.L.MA,H.T.XIAO,Y.Q.ZUO,H.P.HE,L.LI,X.J.HA O |
| Literature Reference Citation | J.NAT.PROD.,70,521(2007) |
| Literature Reference DOI | 10.1021/np0603931 |
| Molecular Weight | 840.876 g/mol |
| Sample ID | 30074 |
| Solvent | CD3OD |