| SpectraBase Compound ID | TG6ROrWMKd |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-8-16(4)20(28)19-21(29)24(5,11-9-15(2)3)23(31)27(22(19)30)13-18-17(26(7,33)14-27)10-12-25(18,6)32/h9,16-18,29,32-33H,8,10-14H2,1-7H3/t16?,17-,18+,24-,25-,26-,27+/m1/s1 |
| InChIKey | KSRRLFUYYFYAAH-KWTHERBGSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jpDT2hZCie |
|---|---|
| Name | CHIPERICUMIN_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-8-16(4)20(28)19-21(29)24(5,11-9-15(2)3)23(31)27(22(19)30)13-18-17(26(7,33)14-27)10-12-25(18,6)32/h9,16-18,29,32-33H,8,10-14H2,1-7H3/t16?,17-,18+,24-,25-,26-,27+/m1/s1 |
| InChIKey | KSRRLFUYYFYAAH-KWTHERBGSA-N |
| Literature Reference Author | S.ABE,N.TANAKA,J.KOBAYASHI |
| Literature Reference Citation | J.NAT.PROD.,75,484(2012) |
| Literature Reference DOI | 10.1021/np200741x |
| Molecular Weight | 460.611 g/mol |
| Sample ID | 40200 |
| Solvent | CDCl3 |