![(3S,12S)-7-hydroxy-9-(6-hydroxy-1-methyl-heptyl)-6-methyl-3-[4-(3-methylbut-2-enoxy)benzyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione](/api/spectrum/L1OWzRo3iWf/structure.png?h=300&w=458 "(3S,12S)-7-hydroxy-9-(6-hydroxy-1-methyl-heptyl)-6-methyl-3-[4-(3-methylbut-2-enoxy)benzyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione")
| SpectraBase Compound ID | AgTrdxENOH6 |
|---|---|
| InChI | InChI=1S/C34H52N2O7/c1-22(2)17-19-42-27-15-13-26(14-16-27)20-28-33(40)36-18-9-8-12-29(36)34(41)43-31(21-30(38)25(5)32(39)35-28)23(3)10-6-7-11-24(4)37/h13-17,23-25,28-31,37-38H,6-12,18-21H2,1-5H3,(H,35,39)/t23?,24?,25?,28-,29-,30?,31?/m0/s1 |
| InChIKey | ZEPBFVDNQHEQEH-YVSZJDEZSA-N |
| Mol Weight | 600.8 g/mol |
| Molecular Formula | C34H52N2O7 |
| Exact Mass | 600.377452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1OWzRo3iWf |
|---|---|
| Name | (3S,12S)-7-hydroxy-9-(6-hydroxy-1-methyl-heptyl)-6-methyl-3-[4-(3-methylbut-2-enoxy)benzyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52N2O7 |
| InChI | InChI=1S/C34H52N2O7/c1-22(2)17-19-42-27-15-13-26(14-16-27)20-28-33(40)36-18-9-8-12-29(36)34(41)43-31(21-30(38)25(5)32(39)35-28)23(3)10-6-7-11-24(4)37/h13-17,23-25,28-31,37-38H,6-12,18-21H2,1-5H3,(H,35,39)/t23?,24?,25?,28-,29-,30?,31?/m0/s1 |
| InChIKey | ZEPBFVDNQHEQEH-YVSZJDEZSA-N |
| Literature Reference Author | Y.FENG,J.W.BLUNT,A.L.J.COLE,M.H.G.MUNRO |
| Literature Reference Citation | ORG.LETTERS,4,2095(2002) |
| Literature Reference DOI | 10.1021/ol0260167 |
| Molecular Weight | 600.796 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU35694 |