| SpectraBase Compound ID | 3IjuQQY2ZiW |
|---|---|
| InChI | InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-16,19,22,27,29-30,32-33H,1,17-18,20H2,2-7H3/b15-14+,21-16+/t22-,27-,29+,30+,32+,33+,34-,35-/m0/s1 |
| InChIKey | NCMOHDQDZGQJRD-MAKSNSPRSA-N |
| Mol Weight | 606.7 g/mol |
| Molecular Formula | C35H42O9 |
| Exact Mass | 606.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76LNEoR4oqa |
|---|---|
| Name | (REL)-2-ALPHA-ACETOXYZUELANIN-6-BETA-CINNAMATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H42O9 |
| InChI | InChI=1S/C35H42O9/c1-8-21(2)16-17-34(7)22(3)18-30(43-31(39)15-14-26-12-10-9-11-13-26)35-28(19-27(20-29(34)35)40-23(4)36)32(41-24(5)37)44-33(35)42-25(6)38/h8-16,19,22,27,29-30,32-33H,1,17-18,20H2,2-7H3/b15-14+,21-16+/t22-,27-,29+,30+,32+,33+,34-,35-/m0/s1 |
| InChIKey | NCMOHDQDZGQJRD-MAKSNSPRSA-N |
| Literature Reference Author | M.R.KHAN,A.I.GRAY,D.R.REED,I.H.SADLER,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,29,1609(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80131-Y |
| Molecular Weight | 606.713 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU32073 |