| SpectraBase Compound ID | 8Dkyn56Y7Av |
|---|---|
| InChI | InChI=1S/C52H62O28/c1-24(56)70-22-34-38(62)41(65)43(67)50(74-34)76-45-44(75-36(60)17-11-25-8-13-28(57)14-9-25)33(21-55)73-51(46(45)77-49-42(66)40(64)37(61)31(19-53)72-49)80-52(23-71-35(59)16-12-26-10-15-29(58)30(18-26)69-2)47(39(63)32(20-54)79-52)78-48(68)27-6-4-3-5-7-27/h3-18,31-34,37-47,49-51,53-55,57-58,61-67H,19-23H2,1-2H3/b16-12+,17-11+/t31-,32+,33-,34-,37-,38-,39+,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51-,52-/m0/s1 |
| InChIKey | CQMJVXOIPWZSQT-WCNKRRQYSA-N |
| Mol Weight | 1135.0 g/mol |
| Molecular Formula | C52H62O28 |
| Exact Mass | 1134.342761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7Xr4nxgYDG |
|---|---|
| Name | WATTEROSE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H62O28 |
| InChI | InChI=1S/C52H62O28/c1-24(56)70-22-34-38(62)41(65)43(67)50(74-34)76-45-44(75-36(60)17-11-25-8-13-28(57)14-9-25)33(21-55)73-51(46(45)77-49-42(66)40(64)37(61)31(19-53)72-49)80-52(23-71-35(59)16-12-26-10-15-29(58)30(18-26)69-2)47(39(63)32(20-54)79-52)78-48(68)27-6-4-3-5-7-27/h3-18,31-34,37-47,49-51,53-55,57-58,61-67H,19-23H2,1-2H3/b16-12+,17-11+/t31-,32+,33-,34-,37-,38-,39+,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51-,52-/m0/s1 |
| InChIKey | CQMJVXOIPWZSQT-WCNKRRQYSA-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 | 1135.047 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU7409 |