Spektraris NMR
(?)-Eperua-7,13-dien-15-oic acid
Common Name: (?)-Eperua-7,13-dien-15-oic acid
Synonyms: (?)-Eperua-7,13-dien-15-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h8,13,16-17H,6-7,9-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1
InChIKey: InChIKey=YUYHINCTHBQFIT-HPMXROJMSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiang, W., Li, R.T., Song, Q.S., Na, Z., Sun, H.D. Helv Chim Acta (2004) 87, 2860-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.2 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.5 |
| 4 (C) | 33.1 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 122.9 |
| 8 (C) | 135 |
| 9 (CH) | 54.6 |
| 10 (C) | 37 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 43.6 |
| 13 (C) | 159 |
| 14 (CH) | 117.8 |
| 15 (C) | 169.3 |
| 16 (CH3) | 19.1 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22 |
| 20 (CH3) | 13.8 |
