Spektraris NMR
2b-Acetoxy Subergorgic acid Methyl ester
Common Name: 2b-Acetoxy Subergorgic acid Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O4/c1-10-8-15(22-12(3)19)18-11(2)13(16(20)21-5)9-17(18,4)7-6-14(10)18/h9-11,14-15H,6-8H2,1-5H3/t10-,11+,14+,15-,17+,18+/m0/s1
InChIKey: InChIKey=NQYWCGLNDMRPDO-DUOLZBPQSA-N
Formula: C18H26O4
Molecular Weight: 306.397325
Exact Mass: 306.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, G.H., Ahmed, A.F., Kuo, Y.H., Sheu, J.H. J Nat Prod (2002) 65, 1033-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Silphiperfolianes; 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) | 66.8 |
| 2 (CH) | 79.1 |
| 3 (CH2) | 42.7 |
| 4 (CH) | 39.8 |
| 5 (CH) | 63.9 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 39.8 |
| 8 (C) | 58.9 |
| 9 (CH) | 152.8 |
| 10 (C) | 137 |
| 11 (CH) | 51.4 |
| 12 (CH3) | 20 |
| 13 (CH3) | 21.8 |
| 14 (C) | 165.3 |
| 15 (CH3) | 17.6 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.7 |
| 14a (CH3) | 50.9 |
