| SpectraBase Compound ID | JNCAw1j2HNu |
|---|---|
| InChI | InChI=1S/C42H52N2O14/c1-23(16-19-45)37(50)43-17-8-9-18-44-38(51)33-31(24-10-6-5-7-11-24)42(25-12-14-26(53-2)15-13-25)40(57-39-36(49)35(48)34(47)30(22-46)56-39)41(33,52)32-28(55-4)20-27(54-3)21-29(32)58-42/h5-7,10-16,20-21,30-31,33-36,39-40,45-49,52H,8-9,17-19,22H2,1-4H3,(H,43,50)(H,44,51)/b23-16+/t30-,31-,33+,34-,35+,36-,39+,40?,41+,42+/m0/s1 |
| InChIKey | AVAKDVULNKXCEJ-USWPNNRTSA-N |
| Mol Weight | 808.9 g/mol |
| Molecular Formula | C42H52N2O14 |
| Exact Mass | 808.341854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTRg5iXDWTz |
|---|---|
| Name | AVAKDVULNKXCEJ-USWPNNRTSA-N |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H52N2O14 |
| InChI | InChI=1S/C42H52N2O14/c1-23(16-19-45)37(50)43-17-8-9-18-44-38(51)33-31(24-10-6-5-7-11-24)42(25-12-14-26(53-2)15-13-25)40(57-39-36(49)35(48)34(47)30(22-46)56-39)41(33,52)32-28(55-4)20-27(54-3)21-29(32)58-42/h5-7,10-16,20-21,30-31,33-36,39-40,45-49,52H,8-9,17-19,22H2,1-4H3,(H,43,50)(H,44,51)/b23-16+/t30-,31-,33+,34-,35+,36-,39+,40?,41+,42+/m0/s1 |
| InChIKey | AVAKDVULNKXCEJ-USWPNNRTSA-N |
| Literature Reference Author | X.CHAIDIR,W.H.LIN,R.EBEL,R.EDRADA,V.WRAY,M.NIMTZ,W.SUMARYONO ,P.PROKSCH |
| Literature Reference Citation | J.NAT.PROD.,64,1216(2001) |
| Literature Reference DOI | 10.1021/np0102354 |
| Molecular Weight | 808.880 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI1943 |