| SpectraBase Compound ID | CTwOStQbGqT |
|---|---|
| InChI | InChI=1S/C25H37ClO7/c1-9-13(3)22(28)31-17(12-19-24(6,7)33-19)15(5)16-11-18(26)25(8,30)21(27)20(16)32-23(29)14(4)10-2/h9-10,16-21,27,30H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17?,18+,19?,20+,21+,25-/m1/s1 |
| InChIKey | LGDYOAVRXJYRRK-VVWVYMMPSA-N |
| Mol Weight | 485.0 g/mol |
| Molecular Formula | C25H37ClO7 |
| Exact Mass | 484.222781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sWhX1q7U4r |
|---|---|
| Name | 4-ALPHA-CHLORO-1-BETA,8-DIANGELOYLOXY-10,11-EPOXY-2-BETA-HYDROXYBISABOL-7-(14)-ENE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H37ClO7 |
| InChI | InChI=1S/C25H37ClO7/c1-9-13(3)22(28)31-17(12-19-24(6,7)33-19)15(5)16-11-18(26)25(8,30)21(27)20(16)32-23(29)14(4)10-2/h9-10,16-21,27,30H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17?,18+,19?,20+,21+,25-/m1/s1 |
| InChIKey | LGDYOAVRXJYRRK-VVWVYMMPSA-N |
| Literature Reference Author | C.M.LIU,D.Q.FEI,Q.H.WU,K.GAO |
| Literature Reference Citation | J.NAT.PROD.,69,695(2006) |
| Literature Reference DOI | 10.1021/np0505061 |
| Molecular Weight | 485.018 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18322 |