| SpectraBase Compound ID | 2fyNV478ui |
|---|---|
| InChI | InChI=1S/C41H51N5O12/c1-25(23-47)17-18-58-31-15-11-29(12-16-31)20-33(41(56)57-3)45-39(54)34(24-48)46-38(53)32(19-28-9-13-30(49)14-10-28)44-36(51)22-42-37(52)26(2)43-40(55)35(50)21-27-7-5-4-6-8-27/h4-17,26,32-35,47-50H,18-24H2,1-3H3,(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,46,53)/b25-17+/t26-,32+,33+,34+,35-/m0/s1 |
| InChIKey | WVTCLNOGGTVDPI-AHWJTRECSA-N |
| Mol Weight | 805.9 g/mol |
| Molecular Formula | C41H51N5O12 |
| Exact Mass | 805.353422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1w2JkiioRr |
|---|---|
| Name | CONOIDEOCRELLIDE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H51N5O12 |
| InChI | InChI=1S/C41H51N5O12/c1-25(23-47)17-18-58-31-15-11-29(12-16-31)20-33(41(56)57-3)45-39(54)34(24-48)46-38(53)32(19-28-9-13-30(49)14-10-28)44-36(51)22-42-37(52)26(2)43-40(55)35(50)21-27-7-5-4-6-8-27/h4-17,26,32-35,47-50H,18-24H2,1-3H3,(H,42,52)(H,43,55)(H,44,51)(H,45,54)(H,46,53)/b25-17+/t26-,32+,33+,34+,35-/m0/s1 |
| InChIKey | WVTCLNOGGTVDPI-AHWJTRECSA-N |
| Literature Reference Author | M.ISAKA,S.PALASARN,S.SUPTHINA,S.KOMWIJIT,J.J.LUANGSAARD |
| Literature Reference Citation | J.NAT.PROD.,74,782(2011) |
| Literature Reference DOI | 10.1021/np100849x |
| Molecular Weight | 805.882 g/mol |
| Sample ID | 37305 |
| Solvent | DMSO-D6 |