Spektraris NMR
Asperdiol acetate
Common Name: Asperdiol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-15(2)19-10-8-16(3)7-6-12-22(5)21(26-22)11-9-18(13-20(19)24)14-25-17(4)23/h7,13,19-21,24H,1,6,8-12,14H2,2-5H3/b16-7+,18-13+/t19-,20+,21+,22-/m1/s1
InChIKey: InChIKey=XHPIEOZMYVAMEY-GSAZTUBSSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A., Acosta, A.L. J Nat Prod (1997) 60, 1134-8
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) | 50.3 |
| 2 (CH) | 68.3 |
| 3 (CH) | 132.1 |
| 4 (C) | 135.4 |
| 5 (CH2) | 26.2 |
| 6 (CH2) | 26.5 |
| 7 (CH) | 64.6 |
| 8 (C) | 60.2 |
| 9 (CH2) | 37.4 |
| 10 (CH2) | 24 |
| 11 (CH) | 124.8 |
| 12 (C) | 134.5 |
| 13 (CH2) | 36 |
| 14 (CH2) | 28 |
| 15 (C) | 145.5 |
| 16 (CH3) | 22.5 |
| 17 (CH2) | 113.9 |
| 18 (CH2) | 67 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 15.8 |
| 18a (C) | 170.7 |
| 18b (CH3) | 20.9 |
