| SpectraBase Compound ID | IqHqLLG7PJo |
|---|---|
| InChI | InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-10-11-34(85-52-44(76)42(74)33(68)24-84-52)41(73)32(67)18-26-19-36(70)59-30(22-64)48(80)62-38(40(72)25-12-14-27(66)15-13-25)51(83)60-28(16-17-53)46(78)56-21-37(71)58-29(20-35(54)69)47(79)61-31(23-65)49(81)63-39(50(82)57-26)43(75)45(55)77/h12-15,26,28-34,38-44,52,64-68,72-76H,2-11,16-24,53H2,1H3,(H2,54,69)(H2,55,77)(H,56,78)(H,57,82)(H,58,71)(H,59,70)(H,60,83)(H,61,79)(H,62,80)(H,63,81)/t26-,28-,29+,30-,31+,32-,33-,34-,38-,39+,40-,41-,42+,43+,44-,52+/m1/s1 |
| InChIKey | ARGJHMFHVZLKHE-GLRAWLMFSA-N |
| Mol Weight | 1216.3 g/mol |
| Molecular Formula | C52H85N11O22 |
| Exact Mass | 1215.587063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kGJxqaqzZ6 |
|---|---|
| Name | BURKHOLDINE_1215 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H85N11O22 |
| InChI | InChI=1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-10-11-34(85-52-44(76)42(74)33(68)24-84-52)41(73)32(67)18-26-19-36(70)59-30(22-64)48(80)62-38(40(72)25-12-14-27(66)15-13-25)51(83)60-28(16-17-53)46(78)56-21-37(71)58-29(20-35(54)69)47(79)61-31(23-65)49(81)63-39(50(82)57-26)43(75)45(55)77/h12-15,26,28-34,38-44,52,64-68,72-76H,2-11,16-24,53H2,1H3,(H2,54,69)(H2,55,77)(H,56,78)(H,57,82)(H,58,71)(H,59,70)(H,60,83)(H,61,79)(H,62,80)(H,63,81)/t26-,28-,29+,30-,31+,32-,33-,34-,38-,39+,40-,41-,42+,43+,44-,52+/m1/s1 |
| InChIKey | ARGJHMFHVZLKHE-GLRAWLMFSA-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 | 1216.307 g/mol |
| Sample ID | 41401 |
| Solvent | DMSO-D6 |