| SpectraBase Compound ID | 2v1HvykURyP |
|---|---|
| InChI | InChI=1S/C30H44O9/c1-11-16(4)26(32)36-21(15-22-29(8,9)39-22)19(7)20-14-23(37-27(33)17(5)12-2)30(10,35)25(24(20)31)38-28(34)18(6)13-3/h11-13,20-25,31,35H,7,14-15H2,1-6,8-10H3/b16-11-,17-12-,18-13-/t20-,21?,22?,23+,24+,25-,30-/m1/s1 |
| InChIKey | XFKBVORRLBQIQI-VDGFJOLDSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C30H44O9 |
| Exact Mass | 548.298533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DjvS6mpwal2 |
|---|---|
| Name | 10,11-EPOXY-1-BETA-HYDROXY-2-BETA,4-ALPHA,8-TRIANGELOYLOXY-BISABOL-7-(14)-ENE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O9 |
| InChI | InChI=1S/C30H44O9/c1-11-16(4)26(32)36-21(15-22-29(8,9)39-22)19(7)20-14-23(37-27(33)17(5)12-2)30(10,35)25(24(20)31)38-28(34)18(6)13-3/h11-13,20-25,31,35H,7,14-15H2,1-6,8-10H3/b16-11-,17-12-,18-13-/t20-,21?,22?,23+,24+,25-,30-/m1/s1 |
| InChIKey | XFKBVORRLBQIQI-VDGFJOLDSA-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 | 548.674 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18321 |