| SpectraBase Compound ID | T3OxXOCrLR |
|---|---|
| InChI | InChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-37(31(2)38(50)43-33-23-19-21-28-47(55)41(33)52)57-42(53)34(24-18-20-27-46(54)30-48)44-39(51)35-29-56-40(45-35)32-22-16-17-25-36(32)49/h16-17,22,25,30-31,33-35,37,49,54-55H,3-15,18-21,23-24,26-29H2,1-2H3,(H,43,50)(H,44,51)/t31?,33-,34-,35-,37?/m0/s1 |
| InChIKey | ZNPSTDZGGZROAZ-WRUXVQBASA-N |
| Mol Weight | 802.0 g/mol |
| Molecular Formula | C42H67N5O10 |
| Exact Mass | 801.488793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NCIkD3HV1u |
|---|---|
| Name | BrASILINBACTIN_A;MAJOR_ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H65N5O10 |
| InChI | InChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-37(31(2)38(50)43-33-23-19-21-28-47(55)41(33)52)57-42(53)34(24-18-20-27-46(54)30-48)44-39(51)35-29-56-40(45-35)32-22-16-17-25-36(32)49/h16-17,22,25,30-31,33-35,37,49,54-55H,3-15,18-21,23-24,26-29H2,1-2H3,(H,43,50)(H,44,51)/t31?,33-,34-,35-,37?/m0/s1 |
| InChIKey | ZNPSTDZGGZROAZ-WRUXVQBASA-N |
| Literature Reference Author | M.TSUDA,M.YAMAKAWA,S.OKA,Y.TANAKA,Y.HOSHINO,Y.MIKAMI,A.SATO, H.FUJIWARA,Y.OHIZUMI |
| Literature Reference Citation | J.NAT.PROD.,68,462(2005) |
| Literature Reference DOI | 10.1021/np0496385 |
| Molecular Weight | 800.006 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ7633 |