Spektraris NMR
5,8-Epoxycembranolide
Common Name: 5,8-Epoxycembranolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-13-15-6-9-21(4,28-19(13)24)17-8-11-20(3,26-17)16(25-14(2)23)7-10-22(5)18(12-15)27-22/h15-18H,1,6-12H2,2-5H3/t15-,16-,17-,18-,20+,21+,22+/m0/s1
InChIKey: InChIKey=SBHQTFJDBYTNNZ-LQCBQFPBSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S.R., Sagar, K.S., Rao, G.V. J Nat Prod (1997) 60, 9-12
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) | 35.7 |
| 2 (CH2) | 33.6 |
| 3 (CH2) | 34 |
| 4 (C) | 88.2 |
| 5 (CH) | 83.4 |
| 6 (CH2) | 30.4 |
| 7 (CH2) | 34.7 |
| 8 (C) | 86.4 |
| 9 (CH) | 77.9 |
| 10 (CH2) | 27.3 |
| 11 (CH2) | 34.3 |
| 12 (C) | 59.9 |
| 13 (CH) | 60.8 |
| 14 (CH2) | 26.7 |
| 15 (C) | 144.4 |
| 16 (C) | 169.5 |
| 17 (CH2) | 123.6 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 29.3 |
| 20 (CH3) | 17.1 |
| 9a (C) | 171.2 |
| 9b (CH3) | 21.1 |
