| SpectraBase Compound ID | H1KKwUe8irZ |
|---|---|
| InChI | InChI=1S/C65H103N13O21/c1-15-31(4)26-32(5)19-24-43(82)65(12,96)64(95)69-28-45(84)72-48(37(10)79)59(90)74-47(35(8)66)58(89)73-46(33(6)34(7)54(67)85)57(88)76-50-52(30(2)3)99-63(94)42-18-16-17-25-78(42)62(93)51(53(98-14)39-20-22-40(81)23-21-39)77-60(91)49(38(11)80)75-55(86)36(9)70-44(83)27-68-56(87)41(29-97-13)71-61(50)92/h19-24,26,30-31,33-38,41-43,46-53,79-82,96H,15-18,25,27-29,66H2,1-14H3,(H2,67,85)(H,68,87)(H,69,95)(H,70,83)(H,71,92)(H,72,84)(H,73,89)(H,74,90)(H,75,86)(H,76,88)(H,77,91)/b24-19-,32-26+/t31?,33-,34+,35-,36-,37+,38-,41+,42-,43?,46-,47-,48+,49+,50+,51?,52-,53?,65?/m0/s1 |
| InChIKey | HQVFHDUBRNXXHV-MMBNIQFHSA-N |
| Mol Weight | 1402.6 g/mol |
| Molecular Formula | C65H103N13O21 |
| Exact Mass | 1401.739147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqDHXrBAgeg |
|---|---|
| Name | PAPUAMIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H103N13O21 |
| InChI | InChI=1S/C65H103N13O21/c1-15-31(4)26-32(5)19-24-43(82)65(12,96)64(95)69-28-45(84)72-48(37(10)79)59(90)74-47(35(8)66)58(89)73-46(33(6)34(7)54(67)85)57(88)76-50-52(30(2)3)99-63(94)42-18-16-17-25-78(42)62(93)51(53(98-14)39-20-22-40(81)23-21-39)77-60(91)49(38(11)80)75-55(86)36(9)70-44(83)27-68-56(87)41(29-97-13)71-61(50)92/h19-24,26,30-31,33-38,41-43,46-53,79-82,96H,15-18,25,27-29,66H2,1-14H3,(H2,67,85)(H,68,87)(H,69,95)(H,70,83)(H,71,92)(H,72,84)(H,73,89)(H,74,90)(H,75,86)(H,76,88)(H,77,91)/b24-19-,32-26+/t31?,33-,34+,35-,36-,37+,38-,41+,42-,43?,46-,47-,48+,49+,50+,51?,52-,53?,65?/m0/s1 |
| InChIKey | HQVFHDUBRNXXHV-MMBNIQFHSA-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 | 1402.607 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWRU11416 |