Spektraris NMR
1,2,3,3¥-Tetrahydro-2,3-didehydro-1-caulerpenyne
Common Name: 1,2,3,3¥-Tetrahydro-2,3-didehydro-1-caulerpenyne
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O5/c1-14(2)7-6-8-15(3)9-10-19(24-17(5)22)18(11-12-20)13-23-16(4)21/h7,9,18-20H,10-13H2,1-5H3/b15-9+
InChIKey: InChIKey=BPLYWHMDMXHGFC-OQLLNIDSSA-N
Formula: C19H28O5
Molecular Weight: 336.423348
Exact Mass: 336.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Smyrniotopoulos, V., Abatis, D., Tziveleka, L.A., Tsitsimpikou, C., Roussis, V., Loukis, A., Vagias, C. J Nat Prod (2003) 66, 21-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 59.9 |
| 2 (CH2) | 128.1 |
| 3 (CH) | 136.3 |
| 4 (CH) | 74.3 |
| 5 (CH2) | 31.9 |
| 6 (CH) | 129.9 |
| 7 (C) | 121.3 |
| 8 (C) | 94 |
| 9 (C) | 85.2 |
| 10 (CH) | 105.2 |
| 11 (C) | 148.2 |
| 12 (CH3) | 24.8 |
| 13 (CH3) | 17.8 |
| 14 (CH3) | 20.8 |
| 15 (CH2) | 59.3 |
| 4a (C) | 170.5 |
| 4b (CH3) | 21 |
| 15a (C) | 169.9 |
| 15b (CH3) | 21.1 |
