| SpectraBase Compound ID | 5M5Pfyl7T6m |
|---|---|
| InChI | InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(32)13-20(29(9,10)37)40-26(34)14(2)3)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12-/t19?,20?,21-,22-,23-,24-,25-,30+/m0/s1 |
| InChIKey | BUDAGGCDYODQJC-AHBCXUIRSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C30H48O12 |
| Exact Mass | 600.314577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUedhupVge |
|---|---|
| Name | 4-ALPHA-ACETYL-2-BETA-ANGELOYL-5-ALPHA,10-DIISOBUTYRYL-1-BETA,3-ALPHA,8,11-TETRAHYDROXYBISABOLENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O12 |
| InChI | InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(32)13-20(29(9,10)37)40-26(34)14(2)3)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12-/t19?,20?,21-,22-,23-,24-,25-,30+/m0/s1 |
| InChIKey | BUDAGGCDYODQJC-AHBCXUIRSA-N |
| Literature Reference Author | B.N.SU,Q.X.ZHU,Z.J.JIA |
| Literature Reference Citation | PHYTOCHEM.,53,1103(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00584-1 |
| Molecular Weight | 600.704 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2332 |