Spektraris NMR
(5alpha,8beta,10beta)-18-Acetoxy-6beta-hydroxycassane-13,15-diene
Common Name: (5alpha,8beta,10beta)-18-Acetoxy-6beta-hydroxycassane-13,15-diene
Synonyms: (5alpha,8beta,10beta)-18-Acetoxy-6beta-hydroxycassane-13,15-diene
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-6-16-8-9-18-17(14(16)2)12-19(24)20-21(4,13-25-15(3)23)10-7-11-22(18,20)5/h6,17-20,24H,1,7-13H2,2-5H3/t17-,18-,19+,20-,21-,22+/m0/s1
InChIKey: InChIKey=SVXPDLNSXIXYEA-KINXCBNHSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
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) | 41.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 38.3 |
| 4 (C) | 37.6 |
| 5 (CH) | 51.6 |
| 6 (CH) | 68.2 |
| 7 (CH2) | 40.5 |
| 8 (CH) | 36.4 |
| 9 (CH) | 55 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 26.8 |
| 13 (C) | 129.7 |
| 14 (C) | 136.6 |
| 15 (CH) | 135.8 |
| 16 (CH2) | 111.2 |
| 17 (CH3) | 16.3 |
| 18 (CH2) | 73.2 |
| 19 (CH3) | 20.1 |
| 20 (CH3) | 17.5 |
| 18a (C) | 171.6 |
| 18b (CH3) | 21.3 |
