| SpectraBase Compound ID | Jo6QTAT7wdF |
|---|---|
| InChI | InChI=1S/C59H77N9O9S2/c1-34(2)48-52(71)60-37(6)36(5)59(76)77-47(31-41-25-18-13-19-26-41)57(74)67(10)49(35(3)4)58(75)68-28-20-27-44(68)56(73)66(9)46(30-40-23-16-12-17-24-40)54-62-42(32-79-54)50(69)61-38(7)53-63-43(33-78-53)55(72)65(8)45(51(70)64-48)29-39-21-14-11-15-22-39/h11-19,21-26,34-38,42-49H,20,27-33H2,1-10H3,(H,60,71)(H,61,69)(H,64,70)/t36-,37-,38-,42+,43+,44+,45-,46-,47+,48+,49+/m1/s1 |
| InChIKey | ULECEIQKIPOQCI-FIWCYBBESA-N |
| Mol Weight | 1120.4 g/mol |
| Molecular Formula | C59H77N9O9S2 |
| Exact Mass | 1119.528567 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ci1jXai8Nmt |
|---|---|
| Name | GRASSYPEPTOLIDE_G |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H77N9O9S2 |
| InChI | InChI=1S/C59H77N9O9S2/c1-34(2)48-52(71)60-37(6)36(5)59(76)77-47(31-41-25-18-13-19-26-41)57(74)67(10)49(35(3)4)58(75)68-28-20-27-44(68)56(73)66(9)46(30-40-23-16-12-17-24-40)54-62-42(32-79-54)50(69)61-38(7)53-63-43(33-78-53)55(72)65(8)45(51(70)64-48)29-39-21-14-11-15-22-39/h11-19,21-26,34-38,42-49H,20,27-33H2,1-10H3,(H,60,71)(H,61,69)(H,64,70)/t36-,37-,38-,42+,43+,44+,45-,46-,47+,48+,49+/m1/s1 |
| InChIKey | ULECEIQKIPOQCI-FIWCYBBESA-N |
| Literature Reference Author | W.L.POPPLEWELL,R.RATNAYAKE,J.A.WILSON,J.A.BEUTLER,N.H.COLBUR N,C.J.HENRICH,J.B.MC |
| Literature Reference Citation | J.NAT.PROD.,74,1686(2011) |
| Literature Reference DOI | 10.1021/np2005083 |
| Solvent | HET |
| Source File Reference | UWMZ39080 |