| SpectraBase Compound ID | 2x1sQZdMr49 |
|---|---|
| InChI | InChI=1S/C34H49N5O7/c1-5-21(2)30-34(45)38-18-12-11-16-28(38)33(44)35-25(14-7-6-8-17-29(41)22(3)40)31(42)36-26(32(43)37-30)19-23-20-39(46-4)27-15-10-9-13-24(23)27/h9-10,13,15,20-22,25-26,28,30,40H,5-8,11-12,14,16-19H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t21?,22?,25-,26-,28+,30-/m0/s1 |
| InChIKey | BCSAECULXJTTAB-XLBNHOPESA-N |
| Mol Weight | 639.8 g/mol |
| Molecular Formula | C34H49N5O7 |
| Exact Mass | 639.363199 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DwnZV2NqOY7 |
|---|---|
| Name | Apicidin D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H49N5O7 |
| InChI | InChI=1S/C34H49N5O7/c1-5-21(2)30-34(45)38-18-12-11-16-28(38)33(44)35-25(14-7-6-8-17-29(41)22(3)40)31(42)36-26(32(43)37-30)19-23-20-39(46-4)27-15-10-9-13-24(23)27/h9-10,13,15,20-22,25-26,28,30,40H,5-8,11-12,14,16-19H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t21?,22?,25-,26-,28+,30-/m0/s1 |
| InChIKey | BCSAECULXJTTAB-XLBNHOPESA-N |
| Molecular Weight | 639.794 g/mol |
| SMILES | N1[C@@](CCCCCC(C(O)C)=O)(C(N[C@](C(N[C@](C(N2[C@@](C1=O)(CCCC2)[H])=O)(C(CC)C)[H])=O)(Cc1c[n](OC)c2c1cccc2)[H])=O)[H] |
| SPLASH | splash10-0089-6973007000-860cd277850d9cdd106c |
| Source of Spectrum | J-67-822-1 |
| Synonyms | (3S,6S,9S,12R)-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-6-[(1-methoxy-3-indolyl)methyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (3S,6S,9S,12R)-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (3S,6S,9S,12R)-9-(7-hydroxy-6-oxo-octyl)-6-[(1-methoxyindol-3-yl)methyl]-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(7-oxidanyl-6-oxidanylidene-octyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone |
| Wiley ID | 1569078 |