| SpectraBase Compound ID | 1owk9X0Y9rb |
|---|---|
| InChI | InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1 |
| InChIKey | XCGGFKXEWPNQFS-CRPGRYFWSA-N |
| Mol Weight | 1502.7 g/mol |
| Molecular Formula | C73H107N13O21 |
| Exact Mass | 1501.770447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2a6SZ8XmDJD |
|---|---|
| Name | LYNGBYAZOTHRIN_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H107N13O21 |
| InChI | InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1 |
| InChIKey | XCGGFKXEWPNQFS-CRPGRYFWSA-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 | 1502.727 g/mol |
| Sample ID | 33277 |
| Solvent | 50%_AQUEOUS_CD3CN:TFA |