| SpectraBase Compound ID | FcXgOI01X6f |
|---|---|
| InChI | InChI=1S/C33H40O7/c1-18-10-24(34)26(36)15-28-22(18)12-20-14-30(38)33(6)21(17-31(3,4)8-7-9-32(20,5)39-28)13-23-19(2)11-25(35)27(37)16-29(23)40-33/h7-8,10-11,15-16,20-21,30,38H,9,12-14,17H2,1-6H3,(H,34,36)(H,35,37)/b8-7-/t20-,21+,30-,32-,33-/m1/s1 |
| InChIKey | BWTQHPFSWXJOGP-KZBCYFAXSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C33H40O7 |
| Exact Mass | 548.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJPcYs3wKZk |
|---|---|
| Name | PYCNIDIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O7 |
| InChI | InChI=1S/C33H40O7/c1-18-10-24(34)26(36)15-28-22(18)12-20-14-30(38)33(6)21(17-31(3,4)8-7-9-32(20,5)39-28)13-23-19(2)11-25(35)27(37)16-29(23)40-33/h7-8,10-11,15-16,20-21,30,38H,9,12-14,17H2,1-6H3,(H,34,36)(H,35,37)/b8-7-/t20-,21+,30-,32-,33-/m1/s1 |
| InChIKey | BWTQHPFSWXJOGP-KZBCYFAXSA-N |
| Literature Reference Author | P.CAI,D.SMITH,B.CUNNINGHAM,S.BROWN-SHIMER,B.KATZ,C.PEARCE,D. VENABLES,D.HOUCK |
| Literature Reference Citation | J.NAT.PROD.,61,791(1998) |
| Literature Reference DOI | 10.1021/np9800506 |
| Molecular Weight | 548.676 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP119 |