| SpectraBase Compound ID | 5t5ClYK9aO3 |
|---|---|
| InChI | InChI=1S/C29H48O12/c1-13(2)25(33)39-18(12-19(31)28(9,10)36)16(7)20-21(32)23(41-27(35)15(5)6)29(11,37)24(38-17(8)30)22(20)40-26(34)14(3)4/h13-15,18-24,31-32,36-37H,7,12H2,1-6,8-11H3/t18?,19?,20-,21-,22-,23-,24-,29+/m0/s1 |
| InChIKey | IHWWWNHKYBLZGD-MEBVVYFOSA-N |
| Mol Weight | 588.7 g/mol |
| Molecular Formula | C29H48O12 |
| Exact Mass | 588.314577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DV3X9VH3i41 |
|---|---|
| Name | 4-ALPHA-ACETYL-2-BETA,5-ALPHA,8-TRIISOBUTYRYL-1-BETA,3-ALPHA,10,11-TETRAHYDROXYBISABOLENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O12 |
| InChI | InChI=1S/C29H48O12/c1-13(2)25(33)39-18(12-19(31)28(9,10)36)16(7)20-21(32)23(41-27(35)15(5)6)29(11,37)24(38-17(8)30)22(20)40-26(34)14(3)4/h13-15,18-24,31-32,36-37H,7,12H2,1-6,8-11H3/t18?,19?,20-,21-,22-,23-,24-,29+/m0/s1 |
| InChIKey | IHWWWNHKYBLZGD-MEBVVYFOSA-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 | 588.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2330 |