Spektraris NMR
4α-Hydroperoxy-5-enovatodiolide
Common Name: 4α-Hydroperoxy-5-enovatodiolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-12-9-15-11-14(19(22)24-15)5-4-7-20(3,26-23)8-6-16-13(2)18(21)25-17(16)10-12/h4,7,10-11,15-17,23H,2,5-6,8-9H2,1,3H3/b7-4+,12-10+/t15-,16-,17+,20-/m1/s1
InChIKey: InChIKey=WSXLFQQZQWNCIS-OPOAMCISSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
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) | 47.7 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 39.4 |
| 4 (C) | 71.8 |
| 5 (CH) | 141.6 |
| 6 (CH) | 123.6 |
| 7 (CH2) | 27.9 |
| 8 (C) | 134 |
| 9 (CH) | 147 |
| 10 (CH) | 78.8 |
| 11 (CH2) | 41.6 |
| 12 (C) | 134.7 |
| 13 (CH) | 129.1 |
| 14 (CH) | 79.8 |
| 15 (C) | 170.7 |
| 16 (C) | 140.9 |
| 17 (CH2) | 120.4 |
| 18 (CH3) | 30.6 |
| 19 (C) | 173.3 |
| 20 (CH3) | 19 |
