Spektraris NMR
(7α)-7,17-Dihydroxy-16-oxobeyeran-18-oic acid
Common Name: (7α)-7,17-Dihydroxy-16-oxobeyeran-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-17-5-3-6-18(2,16(24)25)13(17)8-14(22)20-9-15(23)19(10-20,11-21)7-4-12(17)20/h12-14,21-22H,3-11H2,1-2H3,(H,24,25)/t12-,13-,14+,17-,18+,19-,20+/m0/s1
InChIKey: InChIKey=NUCXXWJLDKZKRN-LYEBYDTJSA-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) | 39.9 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 38.5 |
| 4 (C) | 43.7 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 32.4 |
| 7 (CH) | 74.9 |
| 8 (C) | 46.2 |
| 9 (CH) | 54.5 |
| 10 (C) | 38.6 |
| 11 (CH2) | 20.1 |
| 12 (CH2) | 32.9 |
| 13 (C) | 54.9 |
| 14 (CH2) | 44.6 |
| 15 (CH2) | 42.1 |
| 16 (C) | 220.9 |
| 17 (CH2) | 64 |
| 18 (CH3) | 29.3 |
| 19 (C) | 180.1 |
| 20 (CH3) | 13.7 |
