| SpectraBase Compound ID | 4XbH68ktISL |
|---|---|
| InChI | InChI=1S/C58H76N16O18/c1-26(2)15-34-50(84)68-37(18-43(59)77)49(83)64-24-46(80)65-40(21-47(81)82)55(89)70-39(20-45(61)79)54(88)69-38(19-44(60)78)53(87)67-35(16-28-22-62-32-11-6-4-9-30(28)32)52(86)72-41(25-75)56(90)73-48(27(3)76)58(92)74-14-8-13-42(74)57(91)71-36(51(85)66-34)17-29-23-63-33-12-7-5-10-31(29)33/h4-7,9-12,22-23,26-27,34-42,48,62-63,75-76H,8,13-21,24-25H2,1-3H3,(H2,59,77)(H2,60,78)(H2,61,79)(H,64,83)(H,65,80)(H,66,85)(H,67,87)(H,68,84)(H,69,88)(H,70,89)(H,71,91)(H,72,86)(H,73,90)(H,81,82)/t27-,34+,35-,36-,37-,38+,39-,40-,41-,42-,48-/m0/s1 |
| InChIKey | AFDPMSAJJZIIQX-RARHLLQTSA-N |
| Mol Weight | 1285.3 g/mol |
| Molecular Formula | C58H76N16O18 |
| Exact Mass | 1284.55235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eQmNUzLAEH |
|---|---|
| Name | KAWAGUCHIPEPTIN_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H76N16O18 |
| InChI | InChI=1S/C58H76N16O18/c1-26(2)15-34-50(84)68-37(18-43(59)77)49(83)64-24-46(80)65-40(21-47(81)82)55(89)70-39(20-45(61)79)54(88)69-38(19-44(60)78)53(87)67-35(16-28-22-62-32-11-6-4-9-30(28)32)52(86)72-41(25-75)56(90)73-48(27(3)76)58(92)74-14-8-13-42(74)57(91)71-36(51(85)66-34)17-29-23-63-33-12-7-5-10-31(29)33/h4-7,9-12,22-23,26-27,34-42,48,62-63,75-76H,8,13-21,24-25H2,1-3H3,(H2,59,77)(H2,60,78)(H2,61,79)(H,64,83)(H,65,80)(H,66,85)(H,67,87)(H,68,84)(H,69,88)(H,70,89)(H,71,91)(H,72,86)(H,73,90)(H,81,82)/t27-,34+,35-,36-,37-,38+,39-,40-,41-,42-,48-/m0/s1 |
| InChIKey | AFDPMSAJJZIIQX-RARHLLQTSA-N |
| Literature Reference Author | K.ISHIDA,H.MATSUDA,M.MURAKAMI,K.YAMAGUCHI |
| Literature Reference Citation | J.NAT.PROD.,60,724(1997) |
| Literature Reference DOI | 10.1021/np970146k |
| Molecular Weight | 1285.338 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ10744 |