| SpectraBase Compound ID | 495V494HMAx |
|---|---|
| InChI | InChI=1S/C66H105N13O21/c1-16-32(4)27-33(5)20-25-44(83)66(12,97)65(96)70-29-46(85)73-49(38(10)80)59(90)75-48(36(8)67)58(89)74-47(34(6)35(7)55(68)86)57(88)76-50-53(31(2)3)100-64(95)43-19-17-18-26-79(43)63(94)51(54(99-15)40-21-23-41(82)24-22-40)77-61(92)52(39(11)81)78(13)62(93)37(9)71-45(84)28-69-56(87)42(30-98-14)72-60(50)91/h20-25,27,31-32,34-39,42-44,47-54,80-83,97H,16-19,26,28-30,67H2,1-15H3,(H2,68,86)(H,69,87)(H,70,96)(H,71,84)(H,72,91)(H,73,85)(H,74,89)(H,75,90)(H,76,88)(H,77,92)/b25-20-,33-27+/t32?,34-,35+,36-,37-,38+,39-,42+,43-,44?,47-,48-,49+,50+,51?,52+,53-,54?,66?/m0/s1 |
| InChIKey | MKAKHXFSEWECNW-YNAJOQCISA-N |
| Mol Weight | 1416.6 g/mol |
| Molecular Formula | C66H105N13O21 |
| Exact Mass | 1415.754797 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2tmcmBPglr |
|---|---|
| Name | PAPUAMIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H105N13O21 |
| InChI | InChI=1S/C66H105N13O21/c1-16-32(4)27-33(5)20-25-44(83)66(12,97)65(96)70-29-46(85)73-49(38(10)80)59(90)75-48(36(8)67)58(89)74-47(34(6)35(7)55(68)86)57(88)76-50-53(31(2)3)100-64(95)43-19-17-18-26-79(43)63(94)51(54(99-15)40-21-23-41(82)24-22-40)77-61(92)52(39(11)81)78(13)62(93)37(9)71-45(84)28-69-56(87)42(30-98-14)72-60(50)91/h20-25,27,31-32,34-39,42-44,47-54,80-83,97H,16-19,26,28-30,67H2,1-15H3,(H2,68,86)(H,69,87)(H,70,96)(H,71,84)(H,72,91)(H,73,85)(H,74,89)(H,75,90)(H,76,88)(H,77,92)/b25-20-,33-27+/t32?,34-,35+,36-,37-,38+,39-,42+,43-,44?,47-,48-,49+,50+,51?,52+,53-,54?,66?/m0/s1 |
| InChIKey | MKAKHXFSEWECNW-YNAJOQCISA-N |
| Literature Reference Author | P.W.FORD,K.R.GUSTAFSON,T.C.MCKEE,N.SHIGEMATSU,L.K.MAURIZI,L. K.PANNELL,D.E.WILLIA |
| Literature Reference Citation | J.AM.CHEM.SOC.,121,5899(1999) |
| Literature Reference DOI | 10.1021/ja990582o |
| Molecular Weight | 1416.634 g/mol |
| Solvent | CD3CN:H2O=4:1 |
| Source File Reference | UWRU11415 |