Spektraris NMR
15-Oxobotry-10-oic Acid
Common Name: 15-Oxobotry-10-oic Acid
Synonyms: 15-Oxobotry-10-oic Acid
CAS Registry Number:
InChI: InChI=1S/C17H26O6/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/h8-9,11-13,22H,6-7H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1
InChIKey: InChIKey=UTWAQGXEORDUFH-SVLWDWOGSA-N
Formula: C17H26O6
Molecular Weight: 326.385399
Exact Mass: 326.172939
NMR Solvent: CDCl3
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) | 60.5 |
| 2 (CH) | 29.2 |
| 3 (CH2) | 38.6 |
| 4 (CH) | 72.5 |
| 5 (CH) | 62.6 |
| 6 (C) | 39.4 |
| 7 (CH2) | 51.8 |
| 8 (C) | 59.1 |
| 9 (C) | 89.1 |
| 10 (C) | 176.6 |
| 11 (CH3) | 20.7 |
| 12 (CH3) | 35.6 |
| 13 (CH3) | 27.2 |
| 14 (CH3) | 19.3 |
| 15 (CH) | 207.4 |
| 4a (C) | 170.3 |
| 4b (CH3) | 21.5 |
