Spektraris NMR
(-)-16a-Hydroxykauran-19-oic acid
Common Name: (-)-16a-Hydroxykauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14+,15+,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=XJSSRXITQUJZLO-IVJAHPGJSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Jia, Y., Li, D. J Nat Prod (1999) 62, 1522-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 41.1 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 38.8 |
| 4 (C) | 43.9 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 42.7 |
| 8 (C) | 45.6 |
| 9 (CH) | 56.4 |
| 10 (C) | 40 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 49.23 |
| 14 (CH2) | 38.1 |
| 15 (CH2) | 58.6 |
| 16 (C) | 77.9 |
| 17 (CH3) | 25.17 |
| 18 (CH3) | 29.48 |
| 19 (C) | 180.9 |
| 20 (CH3) | 16.1 |
