| SpectraBase Compound ID | 4s7x3WfMIEZ |
|---|---|
| InChI | InChI=1S/C27H40O7/c1-8-14(2)19(28)18-20(29)27(11-16-15(26(7,33)13-27)9-10-25(16,6)32)22(30)24(5)12-17(23(3,4)31)34-21(18)24/h14-17,31-33H,8-13H2,1-7H3/t14?,15-,16+,17+,24+,25-,26-,27+/m1/s1 |
| InChIKey | VMINWDBAIDFTHZ-PENFJWSISA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C27H40O7 |
| Exact Mass | 476.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsQqVtxV47d |
|---|---|
| Name | CHIPERICUMIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O7 |
| InChI | InChI=1S/C27H40O7/c1-8-14(2)19(28)18-20(29)27(11-16-15(26(7,33)13-27)9-10-25(16,6)32)22(30)24(5)12-17(23(3,4)31)34-21(18)24/h14-17,31-33H,8-13H2,1-7H3/t14?,15-,16+,17+,24+,25-,26-,27+/m1/s1 |
| InChIKey | VMINWDBAIDFTHZ-PENFJWSISA-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 | 476.610 g/mol |
| Sample ID | 40198 |
| Solvent | CDCl3 |