| SpectraBase Compound ID | Dg34NOlFLp6 |
|---|---|
| InChI | InChI=1S/C62H115NO24/c1-12-13-14-15-16-17-18-19-38(64)28-62(86)60(84)59(83)57(81)47(87-62)27-46(72)56(80)58(82)55(79)45(71)25-40(66)23-39(65)24-41(67)32(5)50(74)33(6)42(68)26-43(69)34(7)51(75)35(8)52(76)36(9)53(77)44(70)22-30(3)20-29(2)21-31(4)49(73)48-54(78)37(10)63(11)61(48)85/h21,29-30,32-47,50-53,55-60,64-77,79-84,86H,12-20,22-28H2,1-11H3/b31-21+,49-48-/t29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47-,50?,51?,52?,53?,55?,56?,57-,58?,59+,60+,62+/m0/s1 |
| InChIKey | VAQYWUJSXJULKR-VBYDDPJISA-N |
| Mol Weight | 1258.6 g/mol |
| Molecular Formula | C62H115NO24 |
| Exact Mass | 1257.780904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GzIHsUPoDtE |
|---|---|
| Name | AFLASTATIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H115NO24 |
| InChI | InChI=1S/C62H115NO24/c1-12-13-14-15-16-17-18-19-38(64)28-62(86)60(84)59(83)57(81)47(87-62)27-46(72)56(80)58(82)55(79)45(71)25-40(66)23-39(65)24-41(67)32(5)50(74)33(6)42(68)26-43(69)34(7)51(75)35(8)52(76)36(9)53(77)44(70)22-30(3)20-29(2)21-31(4)49(73)48-54(78)37(10)63(11)61(48)85/h21,29-30,32-47,50-53,55-60,64-77,79-84,86H,12-20,22-28H2,1-11H3/b31-21+,49-48-/t29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47-,50?,51?,52?,53?,55?,56?,57-,58?,59+,60+,62+/m0/s1 |
| InChIKey | VAQYWUJSXJULKR-VBYDDPJISA-N |
| Literature Reference Author | S.SAKUDA,M.ONO,K.FURIHATA,J.NAKAYAMA,A.SUZUKI,A.ISOGAI |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,7855(1996) |
| Literature Reference DOI | 10.1021/ja960899d |
| Molecular Weight | 1258.587 g/mol |
| Sample ID | 36001 |
| Solvent | DMSO-D6 |