| SpectraBase Compound ID | 7071q4YiYxD |
|---|---|
| InChI | InChI=1S/C52H62O29/c1-23(56)71-21-34-38(63)41(66)43(68)50(75-34)77-45-44(76-36(61)15-11-25-9-13-28(58)30(17-25)70-2)33(20-55)74-51(46(45)78-49-42(67)40(65)37(62)31(18-53)73-49)81-52(22-72-35(60)14-10-24-8-12-27(57)29(59)16-24)47(39(64)32(19-54)80-52)79-48(69)26-6-4-3-5-7-26/h3-17,31-34,37-47,49-51,53-55,57-59,62-68H,18-22H2,1-2H3/b14-10+,15-11+/t31-,32+,33?,34-,37-,38-,39+,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51-,52-/m1/s1 |
| InChIKey | KNBFLKQEONPITC-JVSJZQADSA-N |
| Mol Weight | 1151.0 g/mol |
| Molecular Formula | C52H62O29 |
| Exact Mass | 1150.337676 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRyqYdcuEjW |
|---|---|
| Name | WATTEROSE-F |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H62O29 |
| InChI | InChI=1S/C52H62O29/c1-23(56)71-21-34-38(63)41(66)43(68)50(75-34)77-45-44(76-36(61)15-11-25-9-13-28(58)30(17-25)70-2)33(20-55)74-51(46(45)78-49-42(67)40(65)37(62)31(18-53)73-49)81-52(22-72-35(60)14-10-24-8-12-27(57)29(59)16-24)47(39(64)32(19-54)80-52)79-48(69)26-6-4-3-5-7-26/h3-17,31-34,37-47,49-51,53-55,57-59,62-68H,18-22H2,1-2H3/b14-10+,15-11+/t31-,32+,33?,34-,37-,38-,39+,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51-,52-/m1/s1 |
| InChIKey | KNBFLKQEONPITC-JVSJZQADSA-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 | 1151.047 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU7414 |