Spektraris NMR
Phlomisoic acid
Common Name: Phlomisoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,17H,4-8,10-11H2,1-3H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey: InChIKey=ZNNXNARMUIKPIZ-RLLQIKCJSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katagiri, M., Ohtani, K., Kasai, R., Yamasaki, K., Yang, C.R., Tanaka, O. Phytochemistry (1994) 35, 439-42
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) | 37.6 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 38.4 |
| 4 (C) | 44 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 34.6 |
| 8 (C) | 127.3 |
| 9 (C) | 139.5 |
| 10 (C) | 40.2 |
| 11 (CH2) | 29.4 |
| 12 (CH2) | 26.1 |
| 13 (C) | 126.2 |
| 14 (CH) | 111.5 |
| 15 (CH) | 143.3 |
| 16 (CH) | 139.2 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 29.1 |
| 19 (C) | 180.1 |
| 20 (CH3) | 18.4 |
