Spektraris NMR
(5alpha,8beta,10beta)-18-Acetoxy-16-norcassan-13-ene-6,15-dione
Common Name: (5alpha,8beta,10beta)-18-Acetoxy-16-norcassan-13-ene-6,15-dione
Synonyms: (5alpha,8beta,10beta)-18-Acetoxy-16-norcassan-13-ene-6,15-dione
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-13-15(11-22)6-7-17-16(13)10-18(24)19-20(3,12-25-14(2)23)8-5-9-21(17,19)4/h11,16-17,19H,5-10,12H2,1-4H3/t16-,17-,19-,20-,21+/m0/s1
InChIKey: InChIKey=NSFZNZUBLBMNLD-JZTRKIHISA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torres-Mendoza, D., Urena Gonzalez, L.D., Ortega-Barria, E., Coley, P.D., Kursar, T.A., Capson, T.L., McPhail, K., Cubilla-Rios, L. J Nat Prod (2004) 67, 1711-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 38.4 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 36.1 |
| 4 (C) | 35.7 |
| 5 (CH) | 60.3 |
| 6 (C) | 209.4 |
| 7 (CH2) | 46.3 |
| 8 (CH) | 43.6 |
| 9 (CH) | 52.9 |
| 10 (C) | 41.1 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 23.9 |
| 13 (C) | 155.4 |
| 14 (C) | 134.4 |
| 15 (CH) | 191.2 |
| 17 (CH3) | 14.6 |
| 18 (CH2) | 71.9 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 16.5 |
| 18a (C) | 170.9 |
| 18b (CH3) | 20.9 |
