| SpectraBase Compound ID | LliAfz7YZ2t |
|---|---|
| InChI | InChI=1S/C30H42O8/c1-11-16(4)26(31)34-21(15-22-29(8,9)37-22)19(7)20-14-23-30(10,38-23)25(36-28(33)18(6)13-3)24(20)35-27(32)17(5)12-2/h11-13,20-25H,7,14-15H2,1-6,8-10H3/b16-11-,17-12-,18-13-/t20-,21?,22?,23-,24+,25+,30-/m1/s1 |
| InChIKey | FDHPYZZQDWEOOD-MHUMDPDQSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C30H42O8 |
| Exact Mass | 530.287968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4Ur9tl3t1L |
|---|---|
| Name | 3-BETA,4-BETA-EPOXY-1-BETA,2-BETA,8-TRIANGELOYLOXY-BISABOL-7-(14)-ENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O8 |
| InChI | InChI=1S/C30H42O8/c1-11-16(4)26(31)34-21(15-22-29(8,9)37-22)19(7)20-14-23-30(10,38-23)25(36-28(33)18(6)13-3)24(20)35-27(32)17(5)12-2/h11-13,20-25H,7,14-15H2,1-6,8-10H3/b16-11-,17-12-,18-13-/t20-,21?,22?,23-,24+,25+,30-/m1/s1 |
| InChIKey | FDHPYZZQDWEOOD-MHUMDPDQSA-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 | 530.659 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18317 |