| SpectraBase Compound ID | GL7ORaeJmYs |
|---|---|
| InChI | InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20-,22+,24+,25+,26-,27-/m1/s1 |
| InChIKey | WGIMZJFXUGTVFX-BKLTYAGVSA-N |
| Mol Weight | 576.51 g/mol |
| Molecular Formula | C27H28O14 |
| Exact Mass | 576.147906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JirGx27NMVx |
|---|---|
| Name | CASSIAOCCIDENTALIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H28O14 |
| InChI | InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20-,22+,24+,25+,26-,27-/m1/s1 |
| InChIKey | WGIMZJFXUGTVFX-BKLTYAGVSA-N |
| Literature Reference Author | T.HATANO,S.MIZUTA,H.ITO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,52,1379(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00437-9 |
| Molecular Weight | 576.511 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN61 |