| SpectraBase Compound ID | BoujQwGZYYH |
|---|---|
| InChI | InChI=1S/C48H65N15O19/c49-46(50)55-16-4-10-25(58-37(71)22-7-1-13-31(65)34(22)68)40(74)61-28(19-64)44(79)82-21-30(63-42(76)27(12-6-18-57-48(53)54)60-39(73)24-9-3-15-33(67)36(24)70)45(80)81-20-29(43(77)78)62-41(75)26(11-5-17-56-47(51)52)59-38(72)23-8-2-14-32(66)35(23)69/h1-3,7-9,13-15,25-30,64-70H,4-6,10-12,16-21H2,(H,58,71)(H,59,72)(H,60,73)(H,61,74)(H,62,75)(H,63,76)(H,77,78)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)/t25-,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | XCOHICMVRLNUCU-XFKPVUIASA-N |
| Mol Weight | 1156.1 g/mol |
| Molecular Formula | C48H65N15O19 |
| Exact Mass | 1155.458115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4VJbgMYYJDD |
|---|---|
| Name | TRIVANCHROBACTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H65N15O19 |
| InChI | InChI=1S/C48H65N15O19/c49-46(50)55-16-4-10-25(58-37(71)22-7-1-13-31(65)34(22)68)40(74)61-28(19-64)44(79)82-21-30(63-42(76)27(12-6-18-57-48(53)54)60-39(73)24-9-3-15-33(67)36(24)70)45(80)81-20-29(43(77)78)62-41(75)26(11-5-17-56-47(51)52)59-38(72)23-8-2-14-32(66)35(23)69/h1-3,7-9,13-15,25-30,64-70H,4-6,10-12,16-21H2,(H,58,71)(H,59,72)(H,60,73)(H,61,74)(H,62,75)(H,63,76)(H,77,78)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)/t25-,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | XCOHICMVRLNUCU-XFKPVUIASA-N |
| Literature Reference Author | M.SANDY,A.HAN,J.BLUNT,M.MUNRO,M.HAYGOOD,A.BUTLER |
| Literature Reference Citation | J.NAT.PROD.,73,1038(2010) |
| Literature Reference DOI | 10.1021/np900750g |
| Molecular Weight | 1156.133 g/mol |
| Sample ID | 35622 |
| Solvent | CD3OD |