Spektraris NMR
Salvibractone
Common Name: Salvibractone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-12(2)13-8-14-15(9-16(13)23-5)21-11-24-17(14)10-18(21)20(3,4)7-6-19(21)22/h8-9,12,17-18H,6-7,10-11H2,1-5H3/t17-,18-,21+/m0/s1
InChIKey: InChIKey=XKUCHACUVXUVER-BBTUJRGHSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Oksuz, S., Kolak, U., Tan, N., Bozok-Johansson, C., Celik, C., Kohlbau, H.J., Voelter, W. Phytochemistry (1999) 52, 1455-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (C) | 202.7 |
| 2 (CH2) | 34.3 |
| 3 (CH2) | 41.1 |
| 4 (C) | 34.1 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 19.2 |
| 7 (CH) | 68.9 |
| 8 (C) | 128.8 |
| 9 (C) | 130.9 |
| 10 (C) | 40.1 |
| 11 (CH) | 120.6 |
| 12 (C) | 140.1 |
| 13 (C) | 130.9 |
| 14 (CH) | 104.7 |
| 15 (CH) | 24.8 |
| 16 (CH3) | 19.2 |
| 17 (CH3) | 18.6 |
| 18 (CH3) | 31.9 |
| 19 (CH3) | 22.7 |
| 20 (CH2) | 65.6 |
| 12a (CH3) | 61.5 |
