Spektraris NMR
Ent-9a,17-dihydroxy-16-ketobeyeran-19-oic acid
Common Name: Ent-9a,17-dihydroxy-16-ketobeyeran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-16(15(23)24)5-3-6-17(2)13(16)4-7-19-10-14(22)18(11-19,12-21)8-9-20(17,19)25/h13,21,25H,3-12H2,1-2H3,(H,23,24)/t13-,16-,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=ZYHZNGUCLQZBOS-POJIQHKBSA-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) | 32.3 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 38.4 |
| 4 (C) | 43.9 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 22.7 |
| 7 (CH2) | 37.1 |
| 8 (C) | 44.9 |
| 9 (C) | 76.9 |
| 10 (C) | 44 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 29.1 |
| 13 (C) | 54.9 |
| 14 (CH2) | 43.1 |
| 15 (CH2) | 51.5 |
| 16 (C) | 220.8 |
| 17 (CH2) | 64 |
| 18 (CH3) | 29.6 |
| 19 (C) | 180.4 |
| 20 (CH3) | 16.8 |
