Spektraris NMR
(12α)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid
Common Name: (12α)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-17-5-3-6-18(2,16(24)25)12(17)4-7-19-9-15(23)20(10-19,11-21)14(22)8-13(17)19/h12-14,21-22H,3-11H2,1-2H3,(H,24,25)/t12-,13-,14-,17+,18+,19-,20-/m0/s1
InChIKey: InChIKey=ZBYFDMJURKQXPY-JNQXFYDPSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chang, S.F., Yang, L.M., Hsu, F.L., Hsu, J.Y., Liaw, J.H., Lin, S.J. J Nat Prod (2006) 69, 1450-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 40 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 38.6 |
| 4 (C) | 43.8 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 41.1 |
| 8 (C) | 39.4 |
| 9 (CH) | 54.2 |
| 10 (C) | 38.3 |
| 11 (CH2) | 31.2 |
| 12 (CH) | 73 |
| 13 (C) | 60.7 |
| 14 (CH2) | 47.8 |
| 15 (CH2) | 49.5 |
| 16 (C) | 217.5 |
| 17 (CH2) | 61.6 |
| 18 (CH3) | 29.4 |
| 19 (C) | 180.4 |
| 20 (CH3) | 13.7 |
