Spektraris NMR
Symphyooynolide
Common Name: Symphyooynolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-6-11-14-15(23-17(11)22)16-19(4)9-8-13(21)18(2,3)12(19)7-10-20(16,5)24-14/h11-12,14-16H,6-10H2,1-5H3/t11-,12-,14-,15+,16+,19-,20+/m0/s1
InChIKey: InChIKey=JNUVXMXKQPURQN-QPPISCLDSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Tori, M., Aoki, M., Nakashima, K., Asakawa, Y. Phytochemistry (1995) 39, 99-103
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) | 37.1 |
| 2 (CH2) | 33.4 |
| 3 (C) | 213.5 |
| 4 (C) | 47 |
| 5 (CH) | 54 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 39.9 |
| 8 (C) | 81.9 |
| 9 (CH) | 65.7 |
| 10 (C) | 35.5 |
| 11 (CH) | 79.4 |
| 12 (CH) | 79.9 |
| 13 (CH) | 49.1 |
| 14 (CH2) | 23.5 |
| 15 (CH3) | 11.6 |
| 16 (C) | 177 |
| 17 (CH3) | 21.7 |
| 18 (CH3) | 26.8 |
| 19 (CH3) | 20.8 |
| 20 (CH3) | 14.9 |
