| SpectraBase Compound ID | KB3aWa7SrQ |
|---|---|
| InChI | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(37)18-15-12-11-13-16-19-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28?,29-,30?,31-,32+,33-,34-/m1/s1 |
| InChIKey | FUIXSBBJEDTCNV-BXKGNODLSA-N |
| Mol Weight | 596.9 g/mol |
| Molecular Formula | C35H64O7 |
| Exact Mass | 596.465204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xSxgtP8Owe |
|---|---|
| Name | (2,4)-CIS-ASITROCINONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H64O7 |
| InChI | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(37)18-15-12-11-13-16-19-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3/t28?,29-,30?,31-,32+,33-,34-/m1/s1 |
| InChIKey | FUIXSBBJEDTCNV-BXKGNODLSA-N |
| Literature Reference Author | E.J.KIM,F.TIAN,M.H.WOO |
| Literature Reference Citation | J.NAT.PROD.,63,1503(2000) |
| Literature Reference DOI | 10.1021/np000180q |
| Molecular Weight | 596.889 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8609 |