| SpectraBase Compound ID | 62h6VAgNrbb |
|---|---|
| InChI | InChI=1S/C57H81N9O10S2/c1-13-39-49-59-40(30-77-49)51(70)63(10)42(27-32(2)3)47(68)61-45(36(8)67)48(69)58-35(7)34(6)55(74)76-44(29-38-23-18-15-19-24-38)53(72)65(12)46(33(4)5)54(73)66-26-20-25-41(66)52(71)64(11)43(28-37-21-16-14-17-22-37)50-62-57(9,31-78-50)56(75)60-39/h14-19,21-24,32-36,39-46,67H,13,20,25-31H2,1-12H3,(H,58,69)(H,60,75)(H,61,68)/t34-,35-,36-,39-,40+,41+,42-,43+,44+,45+,46+,57-/m1/s1 |
| InChIKey | FKVLMCJKLNRPEK-WXTDHKBDSA-N |
| Mol Weight | 1116.4 g/mol |
| Molecular Formula | C57H81N9O10S2 |
| Exact Mass | 1115.554782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6zlpIY2aac |
|---|---|
| Name | GRASSYPEPTOLIDE_D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H81N9O10S2 |
| InChI | InChI=1S/C57H81N9O10S2/c1-13-39-49-59-40(30-77-49)51(70)63(10)42(27-32(2)3)47(68)61-45(36(8)67)48(69)58-35(7)34(6)55(74)76-44(29-38-23-18-15-19-24-38)53(72)65(12)46(33(4)5)54(73)66-26-20-25-41(66)52(71)64(11)43(28-37-21-16-14-17-22-37)50-62-57(9,31-78-50)56(75)60-39/h14-19,21-24,32-36,39-46,67H,13,20,25-31H2,1-12H3,(H,58,69)(H,60,75)(H,61,68)/t34-,35-,36-,39-,40+,41+,42-,43+,44+,45+,46+,57-/m1/s1 |
| InChIKey | FKVLMCJKLNRPEK-WXTDHKBDSA-N |
| Literature Reference Author | C.C.THORNBURG,M.THIMMAIAH,L.A.SHAALA,A.M.HAU,J.M.MALMO,J.E.I SHMAEL,D.T.A.YOUSSEF |
| Literature Reference Citation | J.NAT.PROD.,74,1677(2011) |
| Literature Reference DOI | 10.1021/np200270d |
| Molecular Weight | 1116.444 g/mol |
| Sample ID | 39076 |
| Solvent | CDCl3 |