| SpectraBase Compound ID | 7bGePWV5m0Z |
|---|---|
| InChI | InChI=1S/C73H120N16O19/c1-22-73(21,66(108)89-36-45(93)33-49(89)57(99)82-67(9,10)60(102)77-43(37-90)31-42-26-24-23-25-27-42)84-54(96)46(28-29-50(74)94)79-56(98)48-32-44(92)35-88(48)65(107)72(19,20)87-63(105)69(13,14)81-55(97)47(30-38(2)3)78-51(95)34-75-58(100)52(39(4)5)80-61(103)68(11,12)85-64(106)71(17,18)86-62(104)70(15,16)83-59(101)53(40(6)7)76-41(8)91/h23-27,38-40,43-49,52-53,90,92-93H,22,28-37H2,1-21H3,(H2,74,94)(H,75,100)(H,76,91)(H,77,102)(H,78,95)(H,79,98)(H,80,103)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,106)(H,86,104)(H,87,105) |
| InChIKey | YOMNVVBADFJOPW-UHFFFAOYSA-N |
| Mol Weight | 1525.9 g/mol |
| Molecular Formula | C73H120N16O19 |
| Exact Mass | 1524.891566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lPm658BHpY |
|---|---|
| Name | BERGOFUNGIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H120N16O19 |
| InChI | InChI=1S/C73H120N16O19/c1-22-73(21,66(108)89-36-45(93)33-49(89)57(99)82-67(9,10)60(102)77-43(37-90)31-42-26-24-23-25-27-42)84-54(96)46(28-29-50(74)94)79-56(98)48-32-44(92)35-88(48)65(107)72(19,20)87-63(105)69(13,14)81-55(97)47(30-38(2)3)78-51(95)34-75-58(100)52(39(4)5)80-61(103)68(11,12)85-64(106)71(17,18)86-62(104)70(15,16)83-59(101)53(40(6)7)76-41(8)91/h23-27,38-40,43-49,52-53,90,92-93H,22,28-37H2,1-21H3,(H2,74,94)(H,75,100)(H,76,91)(H,77,102)(H,78,95)(H,79,98)(H,80,103)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,106)(H,86,104)(H,87,105) |
| InChIKey | YOMNVVBADFJOPW-UHFFFAOYSA-N |
| Literature Reference Author | A.BERG,M.RITZAU,W.IHN,B.SCHLEGEL,W.F.FLECK,S.HEINZE,U.GRAEFE |
| Literature Reference Citation | J.ANTIBIOTICS,49,817(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.817 |
| Molecular Weight | 1525.852 g/mol |
| Solvent | DMSO |
| Source File Reference | UWBS6 |