Spektraris NMR
Sargachromanol B
Common Name: Sargachromanol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-16(7-5-8-17(2)15-23)9-6-11-22(4)12-10-19-14-20(24)13-18(3)21(19)25-22/h8-9,13-14,23-24H,5-7,10-12,15H2,1-4H3/b16-9+,17-8+/t22-/m1/s1
InChIKey: InChIKey=ZQCPSDWUSDOQTE-PSMGVCQDSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jang, K.H., Lee, B.H., Choi, B.W., Lee, H.S., Shin, J. J Nat Prod (2005) 68, 716-23
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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 |
|---|---|
| 2 (C) | 75.3 |
| 3 (CH2) | 31.4 |
| 4 (CH2) | 22.5 |
| 5 (CH) | 112.6 |
| 6 (C) | 147.7 |
| 7 (CH) | 115.6 |
| 8 (C) | 127.4 |
| 9 (C) | 145.9 |
| 10 (C) | 121.2 |
| 1' (CH2) | 39.6 |
| 2' (CH2) | 22.1 |
| 3' (CH) | 124.6 |
| 4' (C) | 134.7 |
| 5' (CH2) | 39.2 |
| 6' (CH2) | 26.2 |
| 7' (CH) | 126.1 |
| 8' (C) | 134.7 |
| 9' (CH2) | 69 |
| 2a (CH3) | 24 |
| 8a (CH3) | 16.1 |
| 4'a (CH3) | 15.8 |
| 8'a (CH3) | 13.7 |
