Spektraris NMR
Botryoloic Acid
Common Name: Botryoloic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O6/c1-9-6-11(23-10(2)19)13-15(3,4)7-16(5,8-18)17(13,22)12(9)14(20)21/h9,11-13,18,22H,6-8H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1
InChIKey: InChIKey=OLOQSHYLOVYRGK-SVLWDWOGSA-N
Formula: C17H28O6
Molecular Weight: 328.401281
Exact Mass: 328.188589
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Reino, J.L., Duran-Patron, R., Segura, I., Hernandez-Galan, R., Riese, H.H., Collado, I.G. J Nat Prod (2003) 66, 344-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) | 61.6 |
| 2 (CH) | 30.2 |
| 3 (CH2) | 39.5 |
| 4 (CH) | 73.4 |
| 5 (CH) | 65 |
| 6 (C) | 36.8 |
| 7 (CH2) | 53.4 |
| 8 (C) | 50.5 |
| 9 (C) | 88.6 |
| 10 (C) | 174.8 |
| 11 (CH3) | 21.1 |
| 12 (CH3) | 36.4 |
| 13 (CH3) | 28.3 |
| 14 (CH3) | 22 |
| 15 (CH2) | 67.5 |
| 4a (C) | 170.1 |
| 4b (CH3) | 21.4 |
