| SpectraBase Compound ID | 6SLWkQLJWQB |
|---|---|
| InChI | InChI=1S/C71H129N13O17/c1-27-43(14)57(69(97)84(25)60(45(16)29-3)70(98)80(21)47(18)62(90)73-46(17)61(89)74-49(34-38(4)5)65(93)82(23)51(71(99)100)36-40(8)9)76-52(86)30-32-72-64(92)59(44(15)28-2)83(24)68(96)56(42(12)13)75-53(87)31-33-79(20)66(94)58(48(19)85)78-63(91)50(35-39(6)7)81(22)67(95)55(41(10)11)77-54(88)37-101-26/h38-51,55-60,85H,27-37H2,1-26H3,(H,72,92)(H,73,90)(H,74,89)(H,75,87)(H,76,86)(H,77,88)(H,78,91)(H,99,100) |
| InChIKey | OVNKNBHNQRZSOB-UHFFFAOYSA-N |
| Mol Weight | 1436.9 g/mol |
| Molecular Formula | C71H129N13O17 |
| Exact Mass | 1435.96294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcwzfeRobkQ |
|---|---|
| Name | THEONELLAPEPTOLIDE-IIIE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H129N13O17 |
| InChI | InChI=1S/C71H129N13O17/c1-27-43(14)57(69(97)84(25)60(45(16)29-3)70(98)80(21)47(18)62(90)73-46(17)61(89)74-49(34-38(4)5)65(93)82(23)51(71(99)100)36-40(8)9)76-52(86)30-32-72-64(92)59(44(15)28-2)83(24)68(96)56(42(12)13)75-53(87)31-33-79(20)66(94)58(48(19)85)78-63(91)50(35-39(6)7)81(22)67(95)55(41(10)11)77-54(88)37-101-26/h38-51,55-60,85H,27-37H2,1-26H3,(H,72,92)(H,73,90)(H,74,89)(H,75,87)(H,76,86)(H,77,88)(H,78,91)(H,99,100) |
| InChIKey | OVNKNBHNQRZSOB-UHFFFAOYSA-N |
| Literature Reference Author | S.LI,E.J.DUMDEI,J.W.BLUNT,M.H.G.MUNRO,W.T.ROBINSON,L.K.PANNE LL |
| Literature Reference Citation | J.NAT.PROD.,61,724(1998) |
| Literature Reference DOI | 10.1021/np970417r |
| Molecular Weight | 1436.882 g/mol |
| Solvent | CD3OD:C6D6=2:8 |
| Source File Reference | UWKP143 |