| SpectraBase Compound ID | 76DAfotjybG |
|---|---|
| InChI | InChI=1S/C27H41ClO9/c1-10-14(3)24(31)36-19(13-21(30)26(7,8)33)16(5)18-12-20(28)27(9,34)23(35-17(6)29)22(18)37-25(32)15(4)11-2/h10-11,18-23,30,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19-,20+,21-,22+,23+,27-/m1/s1 |
| InChIKey | RMZNXWADRNCXQW-XRZIYBHTSA-N |
| Mol Weight | 545.1 g/mol |
| Molecular Formula | C27H41ClO9 |
| Exact Mass | 544.243911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fzm5zxiOAom |
|---|---|
| Name | 2-BETA-ACETOXY-4-ALPHA-CHLORO-1-BETA,8-DIANGELOYLOXY-3-BETA,10,11-TRIHYDROXY-BISABOL-7(14)-ENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H41ClO9 |
| InChI | InChI=1S/C27H41ClO9/c1-10-14(3)24(31)36-19(13-21(30)26(7,8)33)16(5)18-12-20(28)27(9,34)23(35-17(6)29)22(18)37-25(32)15(4)11-2/h10-11,18-23,30,33-34H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19-,20+,21-,22+,23+,27-/m1/s1 |
| InChIKey | RMZNXWADRNCXQW-XRZIYBHTSA-N |
| Literature Reference Author | Y.ZHU,L.YANG,Z.J.JIA |
| Literature Reference Citation | J.NAT.PROD.,62,1479(1999) |
| Literature Reference DOI | 10.1021/np990044p |
| Molecular Weight | 545.070 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS21573 |