| SpectraBase Compound ID | KNMb8UHC6Ma |
|---|---|
| InChI | InChI=1S/C66H102N12O21/c1-16-33(5)28-34(6)21-26-45(82)66(12,96)65(95)69-30-47(84)73-49(38(10)79)59(89)71-42(17-2)57(87)74-48(35(7)36(8)55(67)85)58(88)75-50-53(32(3)4)99-64(94)44-20-18-19-27-78(44)63(93)51(54(98-15)40-22-24-41(81)25-23-40)76-61(91)52(39(11)80)77(13)62(92)37(9)70-46(83)29-68-56(86)43(31-97-14)72-60(50)90/h17,21-26,28,32-33,35-39,43-45,48-54,79-82,96H,16,18-20,27,29-31H2,1-15H3,(H2,67,85)(H,68,86)(H,69,95)(H,70,83)(H,71,89)(H,72,90)(H,73,84)(H,74,87)(H,75,88)(H,76,91)/b26-21-,34-28+,42-17+/t33?,35-,36+,37-,38+,39-,43+,44-,45?,48-,49+,50+,51?,52+,53-,54?,66?/m0/s1 |
| InChIKey | HIQBTKWUFNGQFJ-FAXZLGKMSA-N |
| Mol Weight | 1399.6 g/mol |
| Molecular Formula | C66H102N12O21 |
| Exact Mass | 1398.728248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KH7h84Pm7Di |
|---|---|
| Name | PAPUAMIDE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H102N12O21 |
| InChI | InChI=1S/C66H102N12O21/c1-16-33(5)28-34(6)21-26-45(82)66(12,96)65(95)69-30-47(84)73-49(38(10)79)59(89)71-42(17-2)57(87)74-48(35(7)36(8)55(67)85)58(88)75-50-53(32(3)4)99-64(94)44-20-18-19-27-78(44)63(93)51(54(98-15)40-22-24-41(81)25-23-40)76-61(91)52(39(11)80)77(13)62(92)37(9)70-46(83)29-68-56(86)43(31-97-14)72-60(50)90/h17,21-26,28,32-33,35-39,43-45,48-54,79-82,96H,16,18-20,27,29-31H2,1-15H3,(H2,67,85)(H,68,86)(H,69,95)(H,70,83)(H,71,89)(H,72,90)(H,73,84)(H,74,87)(H,75,88)(H,76,91)/b26-21-,34-28+,42-17+/t33?,35-,36+,37-,38+,39-,43+,44-,45?,48-,49+,50+,51?,52+,53-,54?,66?/m0/s1 |
| InChIKey | HIQBTKWUFNGQFJ-FAXZLGKMSA-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 | 1399.604 g/mol |
| Solvent | CD3CN:H2O=4:1 |
| Source File Reference | UWRU11417 |