| SpectraBase Compound ID | DFKtEb7NzWW |
|---|---|
| InChI | InChI=1S/C54H87NO15/c1-33-18-16-20-48(59)69-52(39(7)51(67-14)35(3)23-26-43(57)37(5)45(64-11)19-17-27-55(8)32-56)36(4)22-25-40(62-9)29-44(58)34(2)21-24-41(63-10)30-46(65-12)38(6)53-50(61)42(31-49(60)70-53)54(68-15)47(28-33)66-13/h16-18,20-22,24-25,27,31-32,34-41,44-47,50-54,58,61H,19,23,26,28-30H2,1-15H3/b20-16-,24-21-,25-22-,27-17+,33-18-/t34?,35?,36?,37?,38?,39?,40?,41?,44?,45?,46?,47?,50-,51?,52?,53-,54?/m1/s1 |
| InChIKey | GIEXXWAAMFTZSN-UOSHKYAWSA-N |
| Mol Weight | 990.3 g/mol |
| Molecular Formula | C54H87NO15 |
| Exact Mass | 989.607571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMhDQf1fxSh |
|---|---|
| Name | SPHINXOLIDE;36-((E)-N-FORMYL-N-METHYLAMINO)-10,19-DIHYDROXY-7,8,13,15,21,27,33-HEPTAMETHOXY-5,12,18,24,26,28,32-HEPTAMETHYL-31-OXO-11,9-(2-OXO-1-OXAPROPAN-1-YL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H87NO15 |
| InChI | InChI=1S/C54H87NO15/c1-33-18-16-20-48(59)69-52(39(7)51(67-14)35(3)23-26-43(57)37(5)45(64-11)19-17-27-55(8)32-56)36(4)22-25-40(62-9)29-44(58)34(2)21-24-41(63-10)30-46(65-12)38(6)53-50(61)42(31-49(60)70-53)54(68-15)47(28-33)66-13/h16-18,20-22,24-25,27,31-32,34-41,44-47,50-54,58,61H,19,23,26,28-30H2,1-15H3/b20-16-,24-21-,25-22-,27-17+,33-18-/t34?,35?,36?,37?,38?,39?,40?,41?,44?,45?,46?,47?,50-,51?,52?,53-,54?/m1/s1 |
| InChIKey | GIEXXWAAMFTZSN-UOSHKYAWSA-N |
| Literature Reference Author | G.GUELLA,I.MANCINI,G.CHIASERA,F.PIETRA |
| Literature Reference Citation | HELV.CHIM.ACTA,72,237(1989) |
| Literature Reference DOI | 10.1002/hlca.19890720207 |
| Molecular Weight | 990.282 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12796 |