Spektraris NMR
Diacetylschkuhrioidiol
Common Name: Diacetylschkuhrioidiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-11-6-5-7-15(10-23-13(3)20)9-17-18(12(2)19(22)25-17)16(8-11)24-14(4)21/h7-8,16-18H,2,5-6,9-10H2,1,3-4H3/b11-8+,15-7+/t16-,17-,18+/m1/s1
InChIKey: InChIKey=PSWMYUFZWONKBI-IFXYYXOISA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Delgado, G., Tejeda, V., Salas, A., Chavez, M.I., Guzman, S., Bolanos, A., Aguilar, M.I., Navarro, V., Villarreal, M.L. J Nat Prod (1998) 61, 1082-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 131.58 |
| 2 (CH2) | 24.37 |
| 3 (CH2) | 38.04 |
| 4 (C) | 131.44 |
| 5 (CH) | 122.12 |
| 6 (CH) | 68.97 |
| 7 (CH) | 47.08 |
| 8 (CH) | 78.22 |
| 9 (CH2) | 29.79 |
| 10 (C) | 131.77 |
| 11 (C) | 137.7 |
| 12 (C) | 169.37 |
| 13 (CH2) | 124.7 |
| 14 (CH2) | 68.31 |
| 15 (CH3) | 17.04 |
| 6a (C) | 170.42 |
| 6b (CH3) | 20.86 |
| 14a (C) | 168.82 |
| 14b (CH3) | 20.75 |
