| SpectraBase Compound ID | Bz7yEzVwB0e |
|---|---|
| InChI | InChI=1S/C53H62O29/c1-24(56)71-21-34-39(64)42(67)44(69)51(75-34)78-46-45(77-37(62)17-11-26-8-13-29(58)14-9-26)35(22-72-25(2)57)76-52(47(46)79-50-43(68)41(66)38(63)32(19-54)74-50)82-53(23-73-36(61)16-12-27-10-15-30(59)31(60)18-27)48(40(65)33(20-55)81-53)80-49(70)28-6-4-3-5-7-28/h3-18,32-35,38-48,50-52,54-55,58-60,63-69H,19-23H2,1-2H3/b16-12+,17-11+/t32-,33+,34-,35-,38-,39-,40+,41+,42+,43-,44-,45-,46+,47-,48-,50+,51+,52-,53-/m0/s1 |
| InChIKey | NPNKPEBRQTXZSZ-RKEAQINESA-N |
| Mol Weight | 1163.0 g/mol |
| Molecular Formula | C53H62O29 |
| Exact Mass | 1162.337676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TTeygEJkoB |
|---|---|
| Name | WATTEROSE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H62O29 |
| InChI | InChI=1S/C53H62O29/c1-24(56)71-21-34-39(64)42(67)44(69)51(75-34)78-46-45(77-37(62)17-11-26-8-13-29(58)14-9-26)35(22-72-25(2)57)76-52(47(46)79-50-43(68)41(66)38(63)32(19-54)74-50)82-53(23-73-36(61)16-12-27-10-15-30(59)31(60)18-27)48(40(65)33(20-55)81-53)80-49(70)28-6-4-3-5-7-28/h3-18,32-35,38-48,50-52,54-55,58-60,63-69H,19-23H2,1-2H3/b16-12+,17-11+/t32-,33+,34-,35-,38-,39-,40+,41+,42+,43-,44-,45-,46+,47-,48-,50+,51+,52-,53-/m0/s1 |
| InChIKey | NPNKPEBRQTXZSZ-RKEAQINESA-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 | 1163.058 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU7410 |