Spektraris NMR
Perrottetianal B
Common Name: Perrottetianal B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14(2)6-9-18(23)19(4)10-5-11-20(13-22)16(12-21)15(3)7-8-17(19)20/h6,12-13,17-18,23H,5,7-11H2,1-4H3/t17-,18?,19+,20-/m0/s1
InChIKey: InChIKey=UMYSTEHACYDMKV-XGKJMYGNSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sacculatanes; 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) | 31.8 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 30.5 |
| 4 (C) | 39.8 |
| 5 (CH) | 47.6 |
| 6 (CH2) | 16.6 |
| 7 (CH2) | 35.8 |
| 8 (C) | 156.9 |
| 9 (C) | 139 |
| 10 (C) | 50.5 |
| 11 (CH) | 189.8 |
| 12 (CH3) | 19 |
| 13 (CH) | 203.5 |
| 14 (CH3) | 18.8 |
| 15 (CH) | 75.7 |
| 16 (CH2) | 30.2 |
| 17 (CH) | 122.4 |
| 18 (C) | 135.3 |
| 19 (CH3) | 26 |
| 20 (CH3) | 17.8 |
