| SpectraBase Compound ID | HeyTXUbYzlj |
|---|---|
| InChI | InChI=1S/C32H33NO10/c1-6-18-10-19-12-24(41-16(4)35)28-29(26(19)22(37)11-18)30(38)20-8-7-9-23(27(20)31(28)39)43-25-13-21(33-15(3)34)32(14(2)40-25)42-17(5)36/h7-9,12,14,18,21,25,32H,6,10-11,13H2,1-5H3,(H,33,34)/t14-,18-,21+,25-,32-/m0/s1 |
| InChIKey | ICRXVXHCMSCQGG-IFVMPWJYSA-N |
| Mol Weight | 591.6 g/mol |
| Molecular Formula | C32H33NO10 |
| Exact Mass | 591.210446 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFLWfcb67tA |
|---|---|
| Name | BrASILIQUINONE-A-TRIACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H33NO10 |
| InChI | InChI=1S/C32H33NO10/c1-6-18-10-19-12-24(41-16(4)35)28-29(26(19)22(37)11-18)30(38)20-8-7-9-23(27(20)31(28)39)43-25-13-21(33-15(3)34)32(14(2)40-25)42-17(5)36/h7-9,12,14,18,21,25,32H,6,10-11,13H2,1-5H3,(H,33,34)/t14-,18-,21+,25-,32-/m0/s1 |
| InChIKey | ICRXVXHCMSCQGG-IFVMPWJYSA-N |
| Literature Reference Author | M.TSUDA,H.SATO,Y.TANAKA,K.YAZAWA,Y.MIKAMI,T.SASAKI,J.KOBAYAS HI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1773(1996) |
| Literature Reference DOI | 10.1039/p19960001773 |
| Molecular Weight | 591.615 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG2057 |