Spektraris NMR
Siegesbeckiol
Common Name: Siegesbeckiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(2)9-14(22)10-18(3)15(17)6-7-19-8-13(4-5-16(18)19)20(23,11-19)12-21/h13-16,21-23H,4-12H2,1-3H3/t13-,14-,15-,16+,18-,19+,20+/m1/s1
InChIKey: InChIKey=QCESQQPIRWFJRU-BNQZHTPESA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, Q.S., Tian, J., Yue, J.M., Chen, S.N., Lin, Z.W., Sun, H.D. Phytochemistry (1998) 48, 1025-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 52.3 |
| 2 (CH) | 64.1 |
| 3 (CH2) | 50.5 |
| 4 (C) | 34.9 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 38 |
| 8 (C) | 44.9 |
| 9 (CH) | 57.2 |
| 10 (C) | 41.3 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 46.2 |
| 14 (CH2) | 42.5 |
| 15 (CH2) | 54.1 |
| 16 (C) | 81.6 |
| 17 (CH2) | 66.5 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22.7 |
| 20 (CH3) | 19.2 |
