Spektraris NMR
1b-Hydroxy-8b-acetoxy-isocostic acid methyl ester
Common Name: 1b-Hydroxy-8b-acetoxy-isocostic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O5/c1-10-6-7-16(20)18(4)9-15(23-12(3)19)13(8-14(10)18)11(2)17(21)22-5/h6,13-16,20H,2,7-9H2,1,3-5H3/t13-,14+,15-,16-,18-/m1/s1
InChIKey: InChIKey=JNQCIRWNUNNIAF-ORDFZIBCSA-N
Formula: C18H26O5
Molecular Weight: 322.39673
Exact Mass: 322.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, C., Wang, C.M., Jia, Z.J. Planta Med (2003) 69, 662-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 76.7 |
| 2 (CH2) | 32.3 |
| 3 (CH) | 120 |
| 4 (C) | 134.2 |
| 5 (CH) | 46.5 |
| 6 (CH2) | 23.2 |
| 7 (CH) | 42.5 |
| 8 (CH) | 69.3 |
| 9 (CH2) | 39.3 |
| 10 (C) | 37.2 |
| 11 (C) | 140.9 |
| 12 (CH2) | 125.4 |
| 13 (C) | 167.1 |
| 14 (CH3) | 11 |
| 15 (CH3) | 20.8 |
| 8a (C) | 170.2 |
| 8b (CH3) | 21.2 |
| 13a (CH3) | 52 |
