Spektraris NMR
Akaol
Common Name: Akaol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6S/c1-20(2)7-5-8-21(3)16(20)6-9-22(4)17(21)11-14-18(22)13(12-23)10-15(24)19(14)28-29(25,26)27/h10,16-17,23-24H,5-9,11-12H2,1-4H3,(H,25,26,27)/t16-,17+,21-,22-/m0/s1
InChIKey: InChIKey=DKGKQANSDMUTMV-YVCBRDFCSA-N
Formula: C22H32O6S1
Molecular Weight: 424.552808
Exact Mass: 424.191959
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Mukku, V.J., Edrada, R.A., Schmitz, F.J., Shanks, M.K., Chaudhuri, B., Fabbro, D. J Nat Prod (2003) 66, 686-9
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 41.9 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 43.3 |
| 4 (C) | 34 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 36.6 |
| 8 (C) | 50.3 |
| 9 (CH) | 64.3 |
| 10 (C) | 38.9 |
| 11 (CH2) | 22.4 |
| 12 (CH3) | 34.1 |
| 13 (CH3) | 32.7 |
| 14 (CH3) | 15.9 |
| 15 (CH3) | 29.9 |
| 1' (C) | 134.8 |
| 2' (C) | 140.5 |
| 3' (C) | 148.8 |
| 4' (CH) | 117.1 |
| 5' (C) | 136.6 |
| 6' (C) | 142.1 |
| 7' (CH2) | 62.4 |
