| SpectraBase Compound ID | DOcjlbGTQrS |
|---|---|
| InChI | InChI=1S/C69H86N14O14/c1-37(2)28-49-61(89)81-55(30-40-22-24-43(84)25-23-40)69(97)83-27-13-21-56(83)67(95)80-51(31-41-35-72-46-18-10-8-16-44(41)46)63(91)76-50(29-39-14-6-5-7-15-39)62(90)78-53(33-57(71)85)64(92)79-54(34-58(86)87)65(93)77-52(32-42-36-73-47-19-11-9-17-45(42)47)66(94)82-59(38(3)4)68(96)74-48(20-12-26-70)60(88)75-49/h5-11,14-19,22-25,35-38,48-56,59,72-73,84H,12-13,20-21,26-34,70H2,1-4H3,(H2,71,85)(H,74,96)(H,75,88)(H,76,91)(H,77,93)(H,78,90)(H,79,92)(H,80,95)(H,81,89)(H,82,94)(H,86,87)/t48-,49+,50+,51+,52+,53+,54+,55-,56+,59+/m1/s1 |
| InChIKey | CYMXDVUOZGHVJG-UMENZTLSSA-N |
| Mol Weight | 1335.5 g/mol |
| Molecular Formula | C69H86N14O14 |
| Exact Mass | 1334.644793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cNzPt7gIgA |
|---|---|
| Name | LOLOATIN-C;CYClIC-(L-ASPARAGINYL-L-ASPARTYL-L-TRYPTOPHANE-L-VALYL-L-ORNITHINYL-L-LEUCYL-D-TYROSYL-L-PROLYL-L-TRYPTOPHANE-D-PHENYLALANYL) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H86N14O14 |
| InChI | InChI=1S/C69H86N14O14/c1-37(2)28-49-61(89)81-55(30-40-22-24-43(84)25-23-40)69(97)83-27-13-21-56(83)67(95)80-51(31-41-35-72-46-18-10-8-16-44(41)46)63(91)76-50(29-39-14-6-5-7-15-39)62(90)78-53(33-57(71)85)64(92)79-54(34-58(86)87)65(93)77-52(32-42-36-73-47-19-11-9-17-45(42)47)66(94)82-59(38(3)4)68(96)74-48(20-12-26-70)60(88)75-49/h5-11,14-19,22-25,35-38,48-56,59,72-73,84H,12-13,20-21,26-34,70H2,1-4H3,(H2,71,85)(H,74,96)(H,75,88)(H,76,91)(H,77,93)(H,78,90)(H,79,92)(H,80,95)(H,81,89)(H,82,94)(H,86,87)/t48-,49+,50+,51+,52+,53+,54+,55-,56+,59+/m1/s1 |
| InChIKey | CYMXDVUOZGHVJG-UMENZTLSSA-N |
| Literature Reference Author | J.M.GERARD,P.HADEN,M.T.KELLY,R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,62,80(1999) |
| Literature Reference DOI | 10.1021/np980219f |
| Molecular Weight | 1335.527 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS19126 |