| SpectraBase Compound ID | HEvSSJvdwbJ |
|---|---|
| InChI | InChI=1S/C68H116N18O20/c1-30(2)28-32(5)51(90)35(8)56(94)77-36(9)57(95)78-42(18-16-26-75-67(71)72)52(91)53(92)63(101)81-47(33(6)34(7)55(70)93)60(98)83-49-39(12)106-66(104)37(10)85(13)65(103)50(54(105-15)40-20-22-41(88)23-21-40)84-59(97)45(24-25-46(69)89)86(14)64(102)44(29-31(3)4)80-58(96)43(19-17-27-76-68(73)74)79-61(99)48(38(11)87)82-62(49)100/h20-23,30-39,42-45,47-54,87-88,90-92H,16-19,24-29H2,1-15H3,(H2,69,89)(H2,70,93)(H,77,94)(H,78,95)(H,79,99)(H,80,96)(H,81,101)(H,82,100)(H,83,98)(H,84,97)(H4,71,72,75)(H4,73,74,76)/t32-,33-,34+,35+,36-,37-,38?,39+,42-,43+,44-,45+,47+,48-,49-,50?,51+,52-,53-,54?/m0/s1 |
| InChIKey | UDTRUOCOOZKCCT-FOCKPWBISA-N |
| Mol Weight | 1505.8 g/mol |
| Molecular Formula | C68H116N18O20 |
| Exact Mass | 1504.861328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5PfcTaizHF0 |
|---|---|
| Name | CALLIPELTIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H116N18O20 |
| InChI | InChI=1S/C68H116N18O20/c1-30(2)28-32(5)51(90)35(8)56(94)77-36(9)57(95)78-42(18-16-26-75-67(71)72)52(91)53(92)63(101)81-47(33(6)34(7)55(70)93)60(98)83-49-39(12)106-66(104)37(10)85(13)65(103)50(54(105-15)40-20-22-41(88)23-21-40)84-59(97)45(24-25-46(69)89)86(14)64(102)44(29-31(3)4)80-58(96)43(19-17-27-76-68(73)74)79-61(99)48(38(11)87)82-62(49)100/h20-23,30-39,42-45,47-54,87-88,90-92H,16-19,24-29H2,1-15H3,(H2,69,89)(H2,70,93)(H,77,94)(H,78,95)(H,79,99)(H,80,96)(H,81,101)(H,82,100)(H,83,98)(H,84,97)(H4,71,72,75)(H4,73,74,76)/t32-,33-,34+,35+,36-,37-,38?,39+,42-,43+,44-,45+,47+,48-,49-,50?,51+,52-,53-,54?/m0/s1 |
| InChIKey | UDTRUOCOOZKCCT-FOCKPWBISA-N |
| Literature Reference Author | A.ZAMPELLA,M.V.D.AURIA,L.G.PALOMA,A.CASAPULLO,L.MINALE,C.DEB ITUS,Y.HENIN |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,6202(1996) |
| Literature Reference DOI | 10.1021/ja954287p |
| Molecular Weight | 1505.778 g/mol |
| Sample ID | 36783 |
| Solvent | C5D5N |