| SpectraBase Compound ID | BbyxsFpO6sV |
|---|---|
| InChI | InChI=1S/C79H131N3O20/c1-43(2)37-57(80-64(87)35-36-78(16,17)73(94)54(14)67(88)44(3)4)74(95)79(18,19)42-50(10)69(90)46(6)31-33-58(84)52(12)75(96)82-65(55(15)83)71(92)53(13)60-34-32-47(7)68(89)48(8)40-49(9)70(91)51(11)59(85)41-56-38-45(5)39-62(101-56)61(100-20)29-27-25-23-21-22-24-26-28-30-63(86)81-66(77(99)102-60)72(93)76(97)98/h23-30,32,35-36,40,42-46,48,51-62,65-72,74,83-85,88-93,95H,21-22,31,33-34,37-39,41H2,1-20H3,(H,80,87)(H,81,86)(H,82,96)(H,97,98)/b25-23+,26-24+,29-27+,30-28+,36-35+,47-32+,49-40+,50-42+ |
| InChIKey | JXHTVGJTICCGEO-HTWGVAEKSA-N |
| Mol Weight | 1442.9 g/mol |
| Molecular Formula | C79H131N3O20 |
| Exact Mass | 1441.932594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Lr6tce3oUD |
|---|---|
| Name | POECILLASTRIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C79H131N3O20 |
| InChI | InChI=1S/C79H131N3O20/c1-43(2)37-57(80-64(87)35-36-78(16,17)73(94)54(14)67(88)44(3)4)74(95)79(18,19)42-50(10)69(90)46(6)31-33-58(84)52(12)75(96)82-65(55(15)83)71(92)53(13)60-34-32-47(7)68(89)48(8)40-49(9)70(91)51(11)59(85)41-56-38-45(5)39-62(101-56)61(100-20)29-27-25-23-21-22-24-26-28-30-63(86)81-66(77(99)102-60)72(93)76(97)98/h23-30,32,35-36,40,42-46,48,51-62,65-72,74,83-85,88-93,95H,21-22,31,33-34,37-39,41H2,1-20H3,(H,80,87)(H,81,86)(H,82,96)(H,97,98)/b25-23+,26-24+,29-27+,30-28+,36-35+,47-32+,49-40+,50-42+ |
| InChIKey | JXHTVGJTICCGEO-HTWGVAEKSA-N |
| Literature Reference Author | M.A.RASHID,K.R.GUSTAFSON,R.C.CROUCH,A.GROWEISS,L.K.PANNELL,Q .N.VAN,M.R.BOYD |
| Literature Reference Citation | ORG.LETTERS,4,3293(2002) |
| Literature Reference DOI | 10.1021/ol026564k |
| Molecular Weight | 1442.917 g/mol |
| Sample ID | 38052 |
| Solvent | DMF-D7 |