| SpectraBase Compound ID | 7aWWKn0dJba |
|---|---|
| InChI | InChI=1S/C41H46O17/c1-21-33(54-27(45)15-13-23-9-5-3-6-10-23)35(55-28(46)16-14-24-11-7-4-8-12-24)36(52-22(2)44)40(51-21)56-34-25-17-18-50-38(29(25)41(20-43)37(34)58-41)57-39-32(49)31(48)30(47)26(19-42)53-39/h3-18,21,25-26,29-40,42-43,47-49H,19-20H2,1-2H3/b15-13+,16-14+/t21-,25?,26+,29?,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-/m1/s1 |
| InChIKey | PCHWYSGBVKSPAM-NHRUVMKLSA-N |
| Mol Weight | 810.8 g/mol |
| Molecular Formula | C41H46O17 |
| Exact Mass | 810.2735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8QBgFZBkSw |
|---|---|
| Name | SCROPOLIOSIDE_B |
| Compound Number | 105 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H46O17 |
| InChI | InChI=1S/C41H46O17/c1-21-33(54-27(45)15-13-23-9-5-3-6-10-23)35(55-28(46)16-14-24-11-7-4-8-12-24)36(52-22(2)44)40(51-21)56-34-25-17-18-50-38(29(25)41(20-43)37(34)58-41)57-39-32(49)31(48)30(47)26(19-42)53-39/h3-18,21,25-26,29-40,42-43,47-49H,19-20H2,1-2H3/b15-13+,16-14+/t21-,25?,26+,29?,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-/m1/s1 |
| InChIKey | PCHWYSGBVKSPAM-NHRUVMKLSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 810.806 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16098 |