Spektraris NMR
(5alpha,8beta,10beta)-18-Acetoxy-6beta,13-dihydroxycassane-14(17),15-diene
Common Name: (5alpha,8beta,10beta)-18-Acetoxy-6beta,13-dihydroxycassane-14(17),15-diene
Synonyms: (5alpha,8beta,10beta)-18-Acetoxy-6beta,13-dihydroxycassane-14(17),15-diene
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-6-22(25)11-8-17-16(14(22)2)12-18(24)19-20(4,13-26-15(3)23)9-7-10-21(17,19)5/h6,16-19,24-25H,1-2,7-13H2,3-5H3/t16-,17-,18+,19-,20-,21+,22+/m0/s1
InChIKey: InChIKey=SYMWDCRVSWITBY-GPNQSEPASA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mendoza, D.T., Urena Gonzalez, L.D., Ortega-Barria, E., Capson, T.L., Rios, L.C. J Nat Prod (2003) 66, 928-32
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) | 41.1 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 37.6 |
| 4 (C) | 37.8 |
| 5 (CH) | 50.4 |
| 6 (CH) | 67.2 |
| 7 (CH2) | 39.9 |
| 8 (CH) | 32 |
| 9 (CH) | 56.6 |
| 10 (C) | 37.3 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.1 |
| 13 (C) | 86 |
| 14 (C) | 151.7 |
| 15 (CH) | 139.4 |
| 16 (CH2) | 111.5 |
| 17 (CH2) | 115.7 |
| 18 (CH2) | 73.9 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 18 |
| 18a (C) | 171.8 |
| 18b (CH3) | 21 |
