Spektraris NMR
Sarcophytonolide A
Common Name: Sarcophytonolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-15(2)17-9-8-16(3)7-6-14-21(4)19(24-21)13-12-18(11-10-17)20(22)23-5/h7,10-11,15,19H,6,8-9,12-14H2,1-5H3/b16-7+,17-10+,18-11+/t19-,21-/m1/s1
InChIKey: InChIKey=DAHKLTNNCUHZKI-LMZXOCQTSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jia, R., Guo, Y.W., Mollo, E., Cimino, G. Helv Chim Acta (2005) 88, 1028-33
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 157.7 |
| 2 (CH) | 120 |
| 3 (CH) | 138 |
| 4 (C) | 125.3 |
| 5 (CH2) | 31.4 |
| 6 (CH2) | 26.6 |
| 7 (CH) | 60.4 |
| 8 (C) | 60.6 |
| 9 (CH2) | 36.4 |
| 10 (CH2) | 22 |
| 11 (CH) | 127.3 |
| 12 (C) | 134 |
| 13 (CH2) | 38.3 |
| 14 (CH2) | 28.4 |
| 15 (CH) | 34.8 |
| 16 (CH3) | 22.2 |
| 17 (CH3) | 22 |
| 18 (C) | 168 |
| 19 (CH3) | 18.4 |
| 20 (CH3) | 17.3 |
| 18a (CH3) | 51.2 |
