| SpectraBase Compound ID | 1xiK996KznX |
|---|---|
| InChI | InChI=1S/C49H58O27/c50-17-28-34(59)37(62)39(64)46(68-28)72-42-41(71-33(58)15-9-22-6-11-25(54)12-7-22)31(20-53)70-48(43(42)73-47-40(65)38(63)35(60)29(18-51)69-47)76-49(21-67-32(57)14-10-23-8-13-26(55)27(56)16-23)44(36(61)30(19-52)75-49)74-45(66)24-4-2-1-3-5-24/h1-16,28-31,34-44,46-48,50-56,59-65H,17-21H2/b14-10+,15-9+/t28-,29-,30+,31-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,46+,47+,48-,49-/m1/s1 |
| InChIKey | YFXZQHXEPQRGQI-RNYDRCPPSA-N |
| Mol Weight | 1079.0 g/mol |
| Molecular Formula | C49H58O27 |
| Exact Mass | 1078.316547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUtGvFFVOdZ |
|---|---|
| Name | WATTEROSE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H58O27 |
| InChI | InChI=1S/C49H58O27/c50-17-28-34(59)37(62)39(64)46(68-28)72-42-41(71-33(58)15-9-22-6-11-25(54)12-7-22)31(20-53)70-48(43(42)73-47-40(65)38(63)35(60)29(18-51)69-47)76-49(21-67-32(57)14-10-23-8-13-26(55)27(56)16-23)44(36(61)30(19-52)75-49)74-45(66)24-4-2-1-3-5-24/h1-16,28-31,34-44,46-48,50-56,59-65H,17-21H2/b14-10+,15-9+/t28-,29-,30+,31-,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,46+,47+,48-,49-/m1/s1 |
| InChIKey | YFXZQHXEPQRGQI-RNYDRCPPSA-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 | 1078.983 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU7412 |