| SpectraBase Compound ID | JqaWR7RVhYB |
|---|---|
| InChI | InChI=1S/C29H46O11/c1-13(2)25(32)37-18(12-19(28(9,10)35)38-26(33)14(3)4)16(7)20-21(31)23-29(11,40-23)24(36-17(8)30)22(20)39-27(34)15(5)6/h13-15,18-24,31,35H,7,12H2,1-6,8-11H3/t18?,19?,20-,21-,22-,23-,24-,29-/m0/s1 |
| InChIKey | DWPSFGXEANDQTF-HQDNGXCOSA-N |
| Mol Weight | 570.7 g/mol |
| Molecular Formula | C29H46O11 |
| Exact Mass | 570.304012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NJACAgHQ10 |
|---|---|
| Name | 2-BETA,3-BETA-EPOXY-4-ACETYL-5-ALPHA,8,10-TRIISOBUTYRYL-1,11-DIHYDROXYBISABOLENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O11 |
| InChI | InChI=1S/C29H46O11/c1-13(2)25(32)37-18(12-19(28(9,10)35)38-26(33)14(3)4)16(7)20-21(31)23-29(11,40-23)24(36-17(8)30)22(20)39-27(34)15(5)6/h13-15,18-24,31,35H,7,12H2,1-6,8-11H3/t18?,19?,20-,21-,22-,23-,24-,29-/m0/s1 |
| InChIKey | DWPSFGXEANDQTF-HQDNGXCOSA-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 | 570.678 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2329 |