| SpectraBase Compound ID | CpwK1m1C3EQ |
|---|---|
| InChI | InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44+,45+,46-,47-,48+,49+,50+/m1/s1 |
| InChIKey | OMAHHNNQYKBGML-DFXOKCGFSA-N |
| Mol Weight | 1134.5 g/mol |
| Molecular Formula | C60H79N9O9S2 |
| Exact Mass | 1133.544217 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3sDsyK2g9b |
|---|---|
| Name | GRASSYPEPTOLIDE_F |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H79N9O9S2 |
| InChI | InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44+,45+,46-,47-,48+,49+,50+/m1/s1 |
| InChIKey | OMAHHNNQYKBGML-DFXOKCGFSA-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 | UWMZ39079 |