![21-BETA-O-[(2Z)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL](/api/spectrum/95lbLjL5Haz/structure.png?h=300&w=458 "21-BETA-O-[(2Z)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL")
| SpectraBase Compound ID | Dud69n1Obye |
|---|---|
| InChI | InChI=1S/C45H72O8/c1-13-28(5)39(51)53-38-37(52-34(48)23-27(4)16-14-15-26(2)3)40(6,7)24-30-29-17-18-32-42(10)21-20-33(47)41(8,9)31(42)19-22-43(32,11)44(29,12)35(49)36(50)45(30,38)25-46/h15,17,23,28,30-33,35-38,46-47,49-50H,13-14,16,18-22,24-25H2,1-12H3/b27-23+ |
| InChIKey | DJKAFHSPKABGQI-SLEBQGDGSA-N |
| Mol Weight | 741.1 g/mol |
| Molecular Formula | C45H72O8 |
| Exact Mass | 740.522719 g/mol |
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| SpectraBase Spectrum ID | 95lbLjL5Haz |
|---|---|
| Name | 21-BETA-O-[(2-Z)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O8 |
| InChI | InChI=1S/C45H72O8/c1-13-28(5)39(51)53-38-37(52-34(48)23-27(4)16-14-15-26(2)3)40(6,7)24-30-29-17-18-32-42(10)21-20-33(47)41(8,9)31(42)19-22-43(32,11)44(29,12)35(49)36(50)45(30,38)25-46/h15,17,23,28,30-33,35-38,46-47,49-50H,13-14,16,18-22,24-25H2,1-12H3/b27-23+ |
| InChIKey | DJKAFHSPKABGQI-SLEBQGDGSA-N |
| Literature Reference Author | G.M.FU,Y.H.WANG,S.GAO,M.J.TANG,S.S.YU |
| Literature Reference Citation | PLANTA.MED.,71,666(2005) |
| Literature Reference DOI | 10.1055/s-2005-871274 |
| Molecular Weight | 741.062 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ47017 |