| SpectraBase Compound ID | 1sD4a4oiQtp |
|---|---|
| InChI | InChI=1S/C51H60O29/c1-22(54)70-19-32-37(62)41(66)43(68)49(74-32)76-44-38(63)33(20-71-34(59)13-9-23-7-11-26(55)28(57)15-23)75-50(45(44)77-48-42(67)40(65)36(61)30(17-52)73-48)80-51(21-72-35(60)14-10-24-8-12-27(56)29(58)16-24)46(39(64)31(18-53)79-51)78-47(69)25-5-3-2-4-6-25/h2-16,30-33,36-46,48-50,52-53,55-58,61-68H,17-21H2,1H3/b13-9+,14-10+/t30-,31+,32-,33-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45-,46-,48+,49+,50-,51-/m0/s1 |
| InChIKey | MISABXSHYLHQBU-SCGVXSHNSA-N |
| Mol Weight | 1137.0 g/mol |
| Molecular Formula | C51H60O29 |
| Exact Mass | 1136.322026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gv9qicw3oS |
|---|---|
| Name | WATTEROSE-J |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H60O29 |
| InChI | InChI=1S/C51H60O29/c1-22(54)70-19-32-37(62)41(66)43(68)49(74-32)76-44-38(63)33(20-71-34(59)13-9-23-7-11-26(55)28(57)15-23)75-50(45(44)77-48-42(67)40(65)36(61)30(17-52)73-48)80-51(21-72-35(60)14-10-24-8-12-27(56)29(58)16-24)46(39(64)31(18-53)79-51)78-47(69)25-5-3-2-4-6-25/h2-16,30-33,36-46,48-50,52-53,55-58,61-68H,17-21H2,1H3/b13-9+,14-10+/t30-,31+,32-,33-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45-,46-,48+,49+,50-,51-/m0/s1 |
| InChIKey | MISABXSHYLHQBU-SCGVXSHNSA-N |
| Literature Reference Author | W.KOBAYASHI,T.MIYASE,S.SUZUKI,H.NOGUCHI,X.M.CHEN |
| Literature Reference Citation | J.NAT.PROD.,63,1121(2000) |
| Literature Reference DOI | 10.1021/np000048q |
| Molecular Weight | 1137.020 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU7418 |