| SpectraBase Compound ID | 1aVjodgANnD |
|---|---|
| InChI | InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49-,50?,51?,52-,53-,54-,55-,56?,57?,58?,61+,62-,63?/m0/s1 |
| InChIKey | IURIYLBJXOYFRR-RWODJXAHSA-N |
| Mol Weight | 1532.8 g/mol |
| Molecular Formula | C74H109N13O22 |
| Exact Mass | 1531.781012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IB7UfoJvT4J |
|---|---|
| Name | LYNGBYAZOTHRIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H109N13O22 |
| InChI | InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49-,50?,51?,52-,53-,54-,55-,56?,57?,58?,61+,62-,63?/m0/s1 |
| InChIKey | IURIYLBJXOYFRR-RWODJXAHSA-N |
| Literature Reference Author | E.N.ZAINUDDIN,R.JANSEN,M.NIMTZ,V.WRAY,M.PREISITSCH,M.LALK,S. MUNDT |
| Literature Reference Citation | J.NAT.PROD.,72,1373(2009) |
| Literature Reference DOI | 10.1021/np8007792 |
| Molecular Weight | 1532.753 g/mol |
| Sample ID | 33276 |
| Solvent | 50%_AQUEOUS_CD3CN:TFA |