| SpectraBase Compound ID | IKkKg8Oakwn |
|---|---|
| InChI | InChI=1S/C45H73NO12/c1-28-15-18-34(48)23-35-13-12-14-36(57-35)24-39(53-9)45(26-56-45)40(54-10)25-38(52-8)32(5)44(58-41(50)20-16-28)33(6)42(51)29(2)17-19-37(49)31(4)43(55-11)30(3)21-22-46(7)27-47/h12-13,15-16,20-22,27,29-36,38-40,42-44,48,51H,14,17-19,23-26H2,1-11H3/b20-16+,22-21+,28-15+/t29-,30+,31-,32-,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-,45-/m0/s1 |
| InChIKey | LGYQYCWMQRMLJJ-DAAXTDNESA-N |
| Mol Weight | 820.1 g/mol |
| Molecular Formula | C45H73NO12 |
| Exact Mass | 819.513277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBbwXz456LI |
|---|---|
| Name | SCYTOPHYCIN_B;MAJOR_ISOMER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H73NO12 |
| InChI | InChI=1S/C45H73NO12/c1-28-15-18-34(48)23-35-13-12-14-36(57-35)24-39(53-9)45(26-56-45)40(54-10)25-38(52-8)32(5)44(58-41(50)20-16-28)33(6)42(51)29(2)17-19-37(49)31(4)43(55-11)30(3)21-22-46(7)27-47/h12-13,15-16,20-22,27,29-36,38-40,42-44,48,51H,14,17-19,23-26H2,1-11H3/b20-16+,22-21+,28-15+/t29-,30+,31-,32-,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-,45-/m0/s1 |
| InChIKey | LGYQYCWMQRMLJJ-DAAXTDNESA-N |
| Literature Reference Author | S.CARMELI,R.E.MOORE,G.M.L.PATTERSON |
| Literature Reference Citation | J.NAT.PROD.,53,1533(1990) |
| Literature Reference DOI | 10.1021/np50072a021 |
| Molecular Weight | 820.074 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ11473 |