| SpectraBase Compound ID | AcfGrIFGE9n |
|---|---|
| InChI | InChI=1S/C50H100O21/c1-7-8-9-10-11-12-13-14-15-31(52)24-50(70)49(69)48(68)46(66)41(71-50)23-40(61)45(65)47(67)44(64)39(60)21-34(55)19-32(53)18-33(54)20-35(56)28(4)42(62)29(5)36(57)22-37(58)30(6)43(63)38(59)17-26(2)16-27(3)25-51/h26-49,51-70H,7-25H2,1-6H3/t26-,27+,28?,29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42?,43?,44?,45?,46+,47?,48-,49-,50-/m0/s1 |
| InChIKey | QJKFSAUGBVQDLA-SOFGRSEOSA-N |
| Mol Weight | 1037.3 g/mol |
| Molecular Formula | C50H100O21 |
| Exact Mass | 1036.67571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6LcA1r2Myqy |
|---|---|
| Name | QJKFSAUGBVQDLA-SOFGRSEOSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H100O21 |
| InChI | InChI=1S/C50H100O21/c1-7-8-9-10-11-12-13-14-15-31(52)24-50(70)49(69)48(68)46(66)41(71-50)23-40(61)45(65)47(67)44(64)39(60)21-34(55)19-32(53)18-33(54)20-35(56)28(4)42(62)29(5)36(57)22-37(58)30(6)43(63)38(59)17-26(2)16-27(3)25-51/h26-49,51-70H,7-25H2,1-6H3/t26-,27+,28?,29?,30?,31-,32?,33?,34?,35?,36?,37?,38?,39?,40?,41-,42?,43?,44?,45?,46+,47?,48-,49-,50-/m0/s1 |
| InChIKey | QJKFSAUGBVQDLA-SOFGRSEOSA-N |
| Literature Reference Author | S.SAKUDA,H.IKEDA,T.NAKAMURA,R.KAWACHI,T.KONDO,M.ONO,M.SAKURA DA,H.INAGAKI,R.ITO,H |
| Literature Reference Citation | J.ANTIBIOTICS,53,1378(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.1378 |
| Molecular Weight | 1037.331 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWRU3971 |