| SpectraBase Compound ID | 1z1mu7b6cFY |
|---|---|
| InChI | InChI=1S/C46H77NO13/c1-28-16-19-43(52)60-46(33(6)44(53)29(2)17-18-37(50)31(4)45(58-12)30(3)20-21-47(7)27-49)32(5)39(54-8)25-41(56-10)36(26-48)40(55-9)23-34-14-13-15-35(59-34)24-42(57-11)38(51)22-28/h13,15-16,19-22,27,29-36,38-42,44-46,48,51,53H,14,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,36+,38-,39+,40-,41-,42+,44-,45+,46-/m0/s1 |
| InChIKey | HKSURPHWRMGDOZ-NKHCFBCYSA-N |
| Mol Weight | 852.1 g/mol |
| Molecular Formula | C46H77NO13 |
| Exact Mass | 851.539492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1bExXX6Cnb |
|---|---|
| Name | 6-H-HYDROXY-7-O-METHYLSCYTOPHYCIN_E;MAJOR_ISOMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H77NO13 |
| InChI | InChI=1S/C46H77NO13/c1-28-16-19-43(52)60-46(33(6)44(53)29(2)17-18-37(50)31(4)45(58-12)30(3)20-21-47(7)27-49)32(5)39(54-8)25-41(56-10)36(26-48)40(55-9)23-34-14-13-15-35(59-34)24-42(57-11)38(51)22-28/h13,15-16,19-22,27,29-36,38-42,44-46,48,51,53H,14,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,36+,38-,39+,40-,41-,42+,44-,45+,46-/m0/s1 |
| InChIKey | HKSURPHWRMGDOZ-NKHCFBCYSA-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 | 852.116 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ11477 |