| SpectraBase Compound ID | 4PbhjzuWKYS |
|---|---|
| InChI | InChI=1S/C68H121N13O16/c1-25-43(16)58-62(89)71-31-28-51(84)74-54(40(10)11)66(93)79(21)56(41(12)13)67(94)77(19)44(17)59(86)69-29-26-49(82)72-46(32-36(2)3)63(90)80(22)57(42(14)15)68(95)97-45(18)55(61(88)70-30-27-50(83)73-47(33-37(4)5)64(91)81(58)23)76-60(87)48(34-38(6)7)78(20)65(92)53(39(8)9)75-52(85)35-96-24/h36-48,53-58H,25-35H2,1-24H3,(H,69,86)(H,70,88)(H,71,89)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,87)/t43-,44-,45+,46+,47+,48+,53-,54+,55-,56-,57+,58-/m0/s1 |
| InChIKey | YADMZZNIGDKNAZ-OOABXOGGSA-N |
| Mol Weight | 1376.8 g/mol |
| Molecular Formula | C68H121N13O16 |
| Exact Mass | 1375.905425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBHOe6i327o |
|---|---|
| Name | THEONELLAPEPTOLIDE-IF |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H121N13O16 |
| InChI | InChI=1S/C68H121N13O16/c1-25-43(16)58-62(89)71-31-28-51(84)74-54(40(10)11)66(93)79(21)56(41(12)13)67(94)77(19)44(17)59(86)69-29-26-49(82)72-46(32-36(2)3)63(90)80(22)57(42(14)15)68(95)97-45(18)55(61(88)70-30-27-50(83)73-47(33-37(4)5)64(91)81(58)23)76-60(87)48(34-38(6)7)78(20)65(92)53(39(8)9)75-52(85)35-96-24/h36-48,53-58H,25-35H2,1-24H3,(H,69,86)(H,70,88)(H,71,89)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,87)/t43-,44-,45+,46+,47+,48+,53-,54+,55-,56-,57+,58-/m0/s1 |
| InChIKey | YADMZZNIGDKNAZ-OOABXOGGSA-N |
| Literature Reference Author | A.SINISI,B.CALCINAI,C.CERRANO,H.A.DIEN,A.ZAMPELLA,C.DAMORE,B .RENGA,S.FIORUCCI,O. |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,1643(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.188 |
| Molecular Weight | 1376.786 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU77438 |