| SpectraBase Compound ID | GTHKyTIUPbs |
|---|---|
| InChI | InChI=1S/C40H64O8/c1-12-23(4)34(45)47-32-33(48-35(46)24(5)13-2)40(22-41)28(21-36(32,6)7)27-17-15-25(14-3)38(10,39(27,11)30(43)31(40)44)20-19-26-16-18-29(42)37(26,8)9/h12-13,17,25-26,28-33,41-44H,14-16,18-22H2,1-11H3/b23-12-,24-13-/t25-,26?,28-,29?,30+,31-,32-,33?,38+,39-,40+/m0/s1 |
| InChIKey | LQQAGGREBSMUOM-QMDMZAKJSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C40H64O8 |
| Exact Mass | 672.460119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CY0rMWgLDf |
|---|---|
| Name | 21,22-Di-O-angeloyl-R1-barrigenol |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H64O8 |
| InChI | InChI=1S/C40H64O8/c1-12-23(4)34(45)47-32-33(48-35(46)24(5)13-2)40(22-41)28(21-36(32,6)7)27-17-15-25(14-3)38(10,39(27,11)30(43)31(40)44)20-19-26-16-18-29(42)37(26,8)9/h12-13,17,25-26,28-33,41-44H,14-16,18-22H2,1-11H3/b23-12-,24-13-/t25-,26?,28-,29?,30+,31-,32-,33?,38+,39-,40+/m0/s1 |
| InChIKey | LQQAGGREBSMUOM-QMDMZAKJSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 127 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |