| SpectraBase Compound ID | 8XoCn6UMRDH |
|---|---|
| InChI | InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1 |
| InChIKey | OCPKVHKLLYWOOG-AZFXQPBMSA-N |
| Mol Weight | 1283.5 g/mol |
| Molecular Formula | C61H94N12O18 |
| Exact Mass | 1282.680904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fgd8uGUH9X7 |
|---|---|
| Name | LYNGBYAZOTHRIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H94N12O18 |
| InChI | InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1 |
| InChIKey | OCPKVHKLLYWOOG-AZFXQPBMSA-N |
| Literature Reference Author | E.N.ZAINUDDIN,R.JANSEN,M.NIMTZ,V.WRAY,M.PREISITSCH,M.LALK,S. MUNDT |
| Literature Reference Citation | J.NAT.PROD.,72,1373(2009) |
| Literature Reference DOI | 10.1021/np8007792 |
| Molecular Weight | 1283.487 g/mol |
| Sample ID | 33275 |
| Solvent | 50%_AQUEOUS_CD3CN:TFA |