Spektraris NMR
Segetalol
Common Name: Segetalol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-8-12(21)11-15(24)18(4)6-9-10(7-17(2,3)14(9)23)19(18,5)16(25)20(11,26)13(8)22/h8-13,15-16,21-22,24-26H,6-7H2,1-5H3/t8-,9-,10-,11-,12+,13-,15-,16-,18+,19-,20+/m1/s1
InChIKey: InChIKey=MFGLOUGDECJCIQ-AFXZTQHDSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Ferreira, M.J.U., Madureira, A.M., Ascenso, J.R. Phytochemistry (1998) 49, 179-83
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Paralianes; 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 (CH) | 72.6 |
| 2 (CH) | 39.5 |
| 3 (CH) | 74.2 |
| 4 (CH) | 43.6 |
| 5 (CH) | 67.5 |
| 6 (C) | 53 |
| 7 (CH2) | 35.7 |
| 8 (CH) | 46.8 |
| 9 (C) | 226.8 |
| 10 (C) | 47.1 |
| 11 (CH2) | 35.5 |
| 12 (CH) | 40.5 |
| 13 (C) | 51.8 |
| 14 (CH) | 70.9 |
| 15 (C) | 85 |
| 16 (CH3) | 9.3 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 29.7 |
| 20 (CH3) | 15.5 |
