| SpectraBase Compound ID | 8lJ6ot0s5pT |
|---|---|
| InChI | InChI=1S/C54H88O20/c1-13-37-33(9)71-53(73-63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(74-64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,45?,46?,47?,48?,49?,50?,51?,52?,53-,54?/m1/s1 |
| InChIKey | VARIWCKWDUFCNI-NONOIVCSSA-N |
| Mol Weight | 1057.3 g/mol |
| Molecular Formula | C54H88O20 |
| Exact Mass | 1056.586895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hQfUbnt1gm |
|---|---|
| Name | Elaiophylin hydroperoxide |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H88O20 |
| InChI | InChI=1S/C54H88O20/c1-13-37-33(9)71-53(73-63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(74-64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,45?,46?,47?,48?,49?,50?,51?,52?,53-,54?/m1/s1 |
| InChIKey | VARIWCKWDUFCNI-NONOIVCSSA-N |
| Instrument Name | Bruker AM-300 |
| Literature Reference | P. Hamman, G. Kretzschmar, Magn. Res. Chem. 29, 667 (1991). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |