| SpectraBase Compound ID | 2zuHKKyJ3jE |
|---|---|
| InChI | InChI=1S/C51H60O28/c1-23(55)69-21-33-37(62)40(65)42(67)49(73-33)75-44-43(74-35(60)16-10-24-7-12-27(56)13-8-24)32(20-54)72-50(45(44)76-48-41(66)39(64)36(61)30(18-52)71-48)79-51(22-70-34(59)15-11-25-9-14-28(57)29(58)17-25)46(38(63)31(19-53)78-51)77-47(68)26-5-3-2-4-6-26/h2-17,30-33,36-46,48-50,52-54,56-58,61-67H,18-22H2,1H3/b15-11+,16-10+/t30-,31+,32-,33-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,48+,49+,50-,51-/m1/s1 |
| InChIKey | MILFPNNQRHTAOJ-SPAMUWHFSA-N |
| Mol Weight | 1121.0 g/mol |
| Molecular Formula | C51H60O28 |
| Exact Mass | 1120.327111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8RwGN3iIbye |
|---|---|
| Name | WATTEROSE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H60O28 |
| InChI | InChI=1S/C51H60O28/c1-23(55)69-21-33-37(62)40(65)42(67)49(73-33)75-44-43(74-35(60)16-10-24-7-12-27(56)13-8-24)32(20-54)72-50(45(44)76-48-41(66)39(64)36(61)30(18-52)71-48)79-51(22-70-34(59)15-11-25-9-14-28(57)29(58)17-25)46(38(63)31(19-53)78-51)77-47(68)26-5-3-2-4-6-26/h2-17,30-33,36-46,48-50,52-54,56-58,61-67H,18-22H2,1H3/b15-11+,16-10+/t30-,31+,32-,33-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,48+,49+,50-,51-/m1/s1 |
| InChIKey | MILFPNNQRHTAOJ-SPAMUWHFSA-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 | 1121.021 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU7411 |