| SpectraBase Compound ID | Kr8TeSr2erq |
|---|---|
| InChI | InChI=1S/C67H85N13O14/c1-37(2)29-47-59(86)78-53(32-41-23-25-43(81)26-24-41)67(94)80-28-14-22-54(80)65(92)77-49(31-40-17-9-6-10-18-40)61(88)73-48(30-39-15-7-5-8-16-39)60(87)75-51(34-55(69)82)62(89)76-52(35-56(83)84)63(90)74-50(33-42-36-70-45-20-12-11-19-44(42)45)64(91)79-57(38(3)4)66(93)71-46(21-13-27-68)58(85)72-47/h5-12,15-20,23-26,36-38,46-54,57,70,81H,13-14,21-22,27-35,68H2,1-4H3,(H2,69,82)(H,71,93)(H,72,85)(H,73,88)(H,74,90)(H,75,87)(H,76,89)(H,77,92)(H,78,86)(H,79,91)(H,83,84)/t46-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1 |
| InChIKey | MIWBQDHORMXYDV-RENPOXANSA-N |
| Mol Weight | 1296.5 g/mol |
| Molecular Formula | C67H85N13O14 |
| Exact Mass | 1295.633894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F31vUIy5hdy |
|---|---|
| Name | LOLOATIN-B;CYClIC-(L-ASPARAGINYL-L-ASPARTYL-L-TRYPTOPHANE-L-VALYL-L-ORNITHINYL-L-LEUCYL-D-TYROSYL-L-PROLYL-L-PHENYLALANYL-D-PHENYLALANYL) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H85N13O14 |
| InChI | InChI=1S/C67H85N13O14/c1-37(2)29-47-59(86)78-53(32-41-23-25-43(81)26-24-41)67(94)80-28-14-22-54(80)65(92)77-49(31-40-17-9-6-10-18-40)61(88)73-48(30-39-15-7-5-8-16-39)60(87)75-51(34-55(69)82)62(89)76-52(35-56(83)84)63(90)74-50(33-42-36-70-45-20-12-11-19-44(42)45)64(91)79-57(38(3)4)66(93)71-46(21-13-27-68)58(85)72-47/h5-12,15-20,23-26,36-38,46-54,57,70,81H,13-14,21-22,27-35,68H2,1-4H3,(H2,69,82)(H,71,93)(H,72,85)(H,73,88)(H,74,90)(H,75,87)(H,76,89)(H,77,92)(H,78,86)(H,79,91)(H,83,84)/t46-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1 |
| InChIKey | MIWBQDHORMXYDV-RENPOXANSA-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 | 1296.491 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS19125 |