Spektraris NMR
Caseanigrescen D-2
Common Name: Caseanigrescen D-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-6-8-22(28)29-19-12-18(14-25)24(15-26)20(13-19)23(5,10-9-16(3)7-2)17(4)11-21(24)27/h7,12,14-15,17,19-21,27H,2-3,6,8-11,13H2,1,4-5H3/t17-,19+,20+,21+,23-,24+/m1/s1
InChIKey: InChIKey=LJKLFXDBDBCJPX-UYLBCASOSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Williams, R.B., Norris, A., Miller, J.S., Birkinshaw, C., Ratovoson, F., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G. J Nat Prod (2007) 70, 206-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 25.8 |
| 2 (CH) | 64.8 |
| 3 (CH) | 148.6 |
| 4 (C) | 148.5 |
| 5 (C) | 55.9 |
| 6 (CH) | 71.8 |
| 7 (CH2) | 36.7 |
| 8 (CH) | 35.4 |
| 9 (C) | 37.8 |
| 10 (CH) | 40.5 |
| 11 (CH2) | 32.4 |
| 12 (CH2) | 23.4 |
| 13 (C) | 146.3 |
| 14 (CH) | 138.9 |
| 15 (CH2) | 112.9 |
| 16 (CH2) | 116.2 |
| 17 (CH3) | 15.2 |
| 18 (CH) | 196.4 |
| 19 (CH) | 202 |
| 20 (CH3) | 26 |
| 2a (C) | 172.9 |
| 2b (CH2) | 36.2 |
| 2c (CH2) | 18.5 |
| 2d (CH3) | 13.7 |
