| SpectraBase Compound ID | KhERugotzUV |
|---|---|
| InChI | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31+,32+,33+,34+/m1/s1 |
| InChIKey | QCICHLFBIUXRKT-GVEPQBHGSA-N |
| Mol Weight | 594.9 g/mol |
| Molecular Formula | C35H62O7 |
| Exact Mass | 594.449554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELWm4qhKkKp |
|---|---|
| Name | ANNORETICUIN-9-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H62O7 |
| InChI | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31+,32+,33+,34+/m1/s1 |
| InChIKey | QCICHLFBIUXRKT-GVEPQBHGSA-N |
| Literature Reference Author | D.C.HOPP,L.ZENG,Z.M.GU,J.F.KOZLOWSKI,J.L.MCLAUGHLIN |
| Literature Reference Citation | J.NAT.PROD.,60,581(1997) |
| Literature Reference DOI | 10.1021/np9701283 |
| Molecular Weight | 594.873 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS130 |