| SpectraBase Compound ID | 8tjuhnNy0Kj |
|---|---|
| InChI | InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-10-11-36(84-52-45(76)44(75)35(68)25-83-52)43(74)34(67)18-27-19-39(71)59-32(23-64)50(81)63-41(42(73)26-12-14-28(66)15-13-26)51(82)60-29(16-17-53)46(77)56-22-40(72)58-30(20-37(54)69)48(79)62-33(24-65)49(80)61-31(21-38(55)70)47(78)57-27/h12-15,27,29-36,41-45,52,64-68,73-76H,2-11,16-25,53H2,1H3,(H2,54,69)(H2,55,70)(H,56,77)(H,57,78)(H,58,72)(H,59,71)(H,60,82)(H,61,80)(H,62,79)(H,63,81)/t27-,29-,30+,31+,32-,33+,34-,35-,36-,41-,42-,43-,44+,45-,52-/m1/s1 |
| InChIKey | PCAQFZPDERWHAA-IPCGSPPCSA-N |
| Mol Weight | 1200.3 g/mol |
| Molecular Formula | C52H85N11O21 |
| Exact Mass | 1199.592149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhHyNOe8gh6 |
|---|---|
| Name | BURKHOLDINE_1119 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H85N11O21 |
| InChI | InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-10-11-36(84-52-45(76)44(75)35(68)25-83-52)43(74)34(67)18-27-19-39(71)59-32(23-64)50(81)63-41(42(73)26-12-14-28(66)15-13-26)51(82)60-29(16-17-53)46(77)56-22-40(72)58-30(20-37(54)69)48(79)62-33(24-65)49(80)61-31(21-38(55)70)47(78)57-27/h12-15,27,29-36,41-45,52,64-68,73-76H,2-11,16-25,53H2,1H3,(H2,54,69)(H2,55,70)(H,56,77)(H,57,78)(H,58,72)(H,59,71)(H,60,82)(H,61,80)(H,62,79)(H,63,81)/t27-,29-,30+,31+,32-,33+,34-,35-,36-,41-,42-,43-,44+,45-,52-/m1/s1 |
| InChIKey | PCAQFZPDERWHAA-IPCGSPPCSA-N |
| Literature Reference Author | Z.LIN,J.O.FALKINHAM,K.A.TAWFIK,P.JEFFS,B.BRAY,G.DUBAY,J.E.CO X,E.W.SCHMIDT |
| Literature Reference Citation | J.NAT.PROD.,75,1518(2012) |
| Literature Reference DOI | 10.1021/np300108u |
| Molecular Weight | 1200.308 g/mol |
| Sample ID | 41402 |
| Solvent | DMSO-D6 |