| SpectraBase Compound ID | HWNbdtxunTz |
|---|---|
| InChI | InChI=1S/C49H58O27/c1-22(53)66-20-31-34(58)37(61)39(63)47(70-31)72-41-40(71-32(56)15-13-23-12-14-26(54)27(55)16-23)30(19-52)69-48(42(41)73-46-38(62)36(60)33(57)28(17-50)68-46)76-49(21-67-44(64)24-8-4-2-5-9-24)43(35(59)29(18-51)75-49)74-45(65)25-10-6-3-7-11-25/h2-16,28-31,33-43,46-48,50-52,54-55,57-63H,17-21H2,1H3/b15-13+/t28-,29+,30-,31-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42-,43-,46+,47+,48-,49-/m1/s1 |
| InChIKey | OXTHBVIHMVVIBV-ILYOJTARSA-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 | 8cvc9ARfar6 |
|---|---|
| Name | WATTEROSE-I |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H58O27 |
| InChI | InChI=1S/C49H58O27/c1-22(53)66-20-31-34(58)37(61)39(63)47(70-31)72-41-40(71-32(56)15-13-23-12-14-26(54)27(55)16-23)30(19-52)69-48(42(41)73-46-38(62)36(60)33(57)28(17-50)68-46)76-49(21-67-44(64)24-8-4-2-5-9-24)43(35(59)29(18-51)75-49)74-45(65)25-10-6-3-7-11-25/h2-16,28-31,33-43,46-48,50-52,54-55,57-63H,17-21H2,1H3/b15-13+/t28-,29+,30-,31-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42-,43-,46+,47+,48-,49-/m1/s1 |
| InChIKey | OXTHBVIHMVVIBV-ILYOJTARSA-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 | UWRU7417 |