Spektraris NMR
Sarcophytonolide B
Common Name: Sarcophytonolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-15(2)16-8-10-17(20(23)25-4)7-6-14-22(3)19(27-22)13-12-18(11-9-16)21(24)26-5/h7,9,11,15,19H,6,8,10,12-14H2,1-5H3/b16-9+,17-7-,18-11+/t19-,22-/m1/s1
InChIKey: InChIKey=OQZOTIXASJTXOV-JZUIMXEISA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 157.1 |
| 2 (CH) | 120.2 |
| 3 (CH) | 138.2 |
| 4 (C) | 125.9 |
| 5 (CH2) | 32.8 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 62.2 |
| 8 (C) | 61.3 |
| 9 (CH2) | 39 |
| 10 (CH2) | 26.6 |
| 11 (CH) | 141.3 |
| 12 (C) | 133.1 |
| 13 (CH2) | 28.8 |
| 14 (CH2) | 29.3 |
| 15 (CH) | 37.1 |
| 16 (CH3) | 21.5 |
| 17 (CH3) | 21.4 |
| 18 (C) | 167.5 |
| 19 (CH3) | 15.3 |
| 20 (C) | 167.8 |
| 18a (CH3) | 51.4 |
| 20a (CH3) | 51.7 |
