Spektraris NMR
Sarcophytonolides I
Common Name: Sarcophytonolides I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14(2)21-19(25-17(5)23)12-16(4)10-6-8-15(3)9-7-11-18-13-20(21)26-22(18)24/h9-10,13-14,19-21H,6-8,11-12H2,1-5H3/b15-9+,16-10+/t19-,20-,21-/m1/s1
InChIKey: InChIKey=IMDXZXMRERRXIF-SWULUOMOSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yan, X.H., Li, Z.Y., Guo, Y.W. Helv Chim Acta (2007) 90, 1574-80
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 (CH) | 50.3 |
| 2 (CH) | 80.7 |
| 3 (CH) | 150.3 |
| 4 (C) | 130.7 |
| 5 (CH2) | 25.5 |
| 6 (CH2) | 24 |
| 7 (CH) | 123.8 |
| 8 (C) | 136 |
| 9 (CH2) | 38.2 |
| 10 (CH2) | 25 |
| 11 (CH) | 125.9 |
| 12 (C) | 133 |
| 13 (CH2) | 40.9 |
| 14 (CH) | 73.3 |
| 15 (CH) | 25.8 |
| 16 (CH3) | 18.8 |
| 17 (CH3) | 25.2 |
| 18 (C) | 173.3 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 18.9 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.2 |
