| SpectraBase Compound ID | Ep9fGla9uMY |
|---|---|
| InChI | InChI=1S/C45H73NO13/c1-27-15-18-41(51)59-44(32(6)42(52)28(2)16-17-35(48)30(4)43(56-11)29(3)19-20-46(7)26-47)31(5)38(53-8)24-40(55-10)45(25-57-45)39(54-9)23-34-14-12-13-33(58-34)22-37(50)36(49)21-27/h12-13,15,18-21,26,28-34,36-40,42-44,49-50,52H,14,16-17,22-25H2,1-11H3/b18-15+,20-19+,27-21+/t28-,29+,30-,31-,32-,33-,34-,36-,37+,38+,39-,40-,42-,43+,44-,45-/m0/s1 |
| InChIKey | ZTRATTIWNXCURD-YRCXACEXSA-N |
| Mol Weight | 836.1 g/mol |
| Molecular Formula | C45H73NO13 |
| Exact Mass | 835.508191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRCUNVYUo3J |
|---|---|
| Name | 6-HYDROXXYSCYTOPHYCIN_B;MAJOR_ISOMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H73NO13 |
| InChI | InChI=1S/C45H73NO13/c1-27-15-18-41(51)59-44(32(6)42(52)28(2)16-17-35(48)30(4)43(56-11)29(3)19-20-46(7)26-47)31(5)38(53-8)24-40(55-10)45(25-57-45)39(54-9)23-34-14-12-13-33(58-34)22-37(50)36(49)21-27/h12-13,15,18-21,26,28-34,36-40,42-44,49-50,52H,14,16-17,22-25H2,1-11H3/b18-15+,20-19+,27-21+/t28-,29+,30-,31-,32-,33-,34-,36-,37+,38+,39-,40-,42-,43+,44-,45-/m0/s1 |
| InChIKey | ZTRATTIWNXCURD-YRCXACEXSA-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 | 836.074 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ11471 |