Spektraris NMR
4-Methylene-5-oxovatodiolide
Common Name: 4-Methylene-5-oxovatodiolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-11-8-15-10-14(20(23)24-15)5-7-17(21)12(2)4-6-16-13(3)19(22)25-18(16)9-11/h9-10,15-16,18H,2-8H2,1H3/b11-9+/t15-,16-,18+/m0/s1
InChIKey: InChIKey=APHXKGJLXYAQHZ-XLJJWPCRSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, Y.L., Lan, Y.H., Hsieh, P.W., Wu, C.C., Chen, S.L., Yen, C.T., Chang, F.R., Hung, W.C., Wu, Y.C. J Nat Prod (2008) 71, 1207-12
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) | 43.8 |
| 2 (CH2) | 32.8 |
| 3 (CH2) | 26.7 |
| 4 (C) | 147.5 |
| 5 (C) | 200.2 |
| 6 (CH2) | 33.8 |
| 7 (CH2) | 20.6 |
| 8 (C) | 133.1 |
| 9 (CH) | 149.7 |
| 10 (CH) | 79.2 |
| 11 (CH2) | 41.4 |
| 12 (C) | 135.5 |
| 13 (CH) | 127.7 |
| 14 (CH) | 78 |
| 15 (C) | 170.3 |
| 16 (C) | 140.7 |
| 17 (CH2) | 121.2 |
| 18 (CH2) | 126.5 |
| 19 (C) | 173.4 |
| 20 (CH3) | 18.8 |
