| SpectraBase Compound ID | Lg4TdZnzgMt |
|---|---|
| InChI | InChI=1S/C84H129N21O25S4/c1-16-38(9)62-79(123)91-48(22-23-59(109)110)71(115)95-54-32-132-42(13)64(105-76(120)53-31-131-30-52(94-67(111)40(11)85)75(119)93-51(29-106)69(113)87-27-57(107)90-50(73(117)100-60(36(5)6)77(121)96-53)25-45-26-86-47-21-19-18-20-46(45)47)81(125)92-49(24-35(3)4)72(116)104-65(82(126)103-62)43(14)133-33-55-74(118)89-41(12)68(112)98-56(84(128)129)34-134(130)44(15)66(99-58(108)28-88-70(54)114)83(127)101-61(37(7)8)78(122)102-63(39(10)17-2)80(124)97-55/h18-21,26,35-44,48-56,60-66,86,106H,16-17,22-25,27-34,85H2,1-15H3,(H,87,113)(H,88,114)(H,89,118)(H,90,107)(H,91,123)(H,92,125)(H,93,119)(H,94,111)(H,95,115)(H,96,121)(H,97,124)(H,98,112)(H,99,108)(H,100,117)(H,101,127)(H,102,122)(H,103,126)(H,104,116)(H,105,120)(H,109,110)(H,128,129) |
| InChIKey | CVPCASSPBZQNJQ-UHFFFAOYSA-N |
| Mol Weight | 1961.3 g/mol |
| Molecular Formula | C84H129N21O25S4 |
| Exact Mass | 1959.835133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1keIpvvfBt |
|---|---|
| Name | ALA-(0)-ACTAGARDINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H129N21O25S4 |
| InChI | InChI=1S/C84H129N21O25S4/c1-16-38(9)62-79(123)91-48(22-23-59(109)110)71(115)95-54-32-132-42(13)64(105-76(120)53-31-131-30-52(94-67(111)40(11)85)75(119)93-51(29-106)69(113)87-27-57(107)90-50(73(117)100-60(36(5)6)77(121)96-53)25-45-26-86-47-21-19-18-20-46(45)47)81(125)92-49(24-35(3)4)72(116)104-65(82(126)103-62)43(14)133-33-55-74(118)89-41(12)68(112)98-56(84(128)129)34-134(130)44(15)66(99-58(108)28-88-70(54)114)83(127)101-61(37(7)8)78(122)102-63(39(10)17-2)80(124)97-55/h18-21,26,35-44,48-56,60-66,86,106H,16-17,22-25,27-34,85H2,1-15H3,(H,87,113)(H,88,114)(H,89,118)(H,90,107)(H,91,123)(H,92,125)(H,93,119)(H,94,111)(H,95,115)(H,96,121)(H,97,124)(H,98,112)(H,99,108)(H,100,117)(H,101,127)(H,102,122)(H,103,126)(H,104,116)(H,105,120)(H,109,110)(H,128,129) |
| InChIKey | CVPCASSPBZQNJQ-UHFFFAOYSA-N |
| Literature Reference Author | L.VERTESY,W.ARETZ,A.BONNEFOY,E.EHLERS,M.KURZ,A.MARKUS,M.SCHI ELL,M.VOGEL,J.WINK,H |
| Literature Reference Citation | J.ANTIBIOTICS,52,730(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.730 |
| Molecular Weight | 1961.314 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU1015 |