Spektraris NMR
Phyllaemblicin D
Common Name: Phyllaemblicin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O13/c22-5-14-15(25)16(26)17(27)19(33-14)31-6-10-7-32-21(4-12(10)24)20(30,8-23)11-2-1-9(18(28)29)3-13(11)34-21/h9-17,19,22-27,30H,1-8H2,(H,28,29)/t9-,10+,11-,12-,13+,14+,15+,16-,17+,19+,20-,21-/m0/s1
InChIKey: InChIKey=MKVQPLIMYJILBG-NBSHRHPWSA-N
Formula: C21H34O13
Molecular Weight: 494.487704
Exact Mass: 494.199941
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Y.J., Tanaka, T., Iwamoto, Y., Yang, C.R., Kouno, I. J Nat Prod (2001) 64, 870-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 21.5 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 38.3 |
| 4 (CH2) | 30.6 |
| 5 (CH) | 75.3 |
| 6 (CH) | 43.9 |
| 7 (C) | 85.6 |
| 8 (C) | 108.8 |
| 9 (CH2) | 37.4 |
| 10 (CH) | 66.2 |
| 11 (CH) | 41.1 |
| 12 (CH2) | 59.5 |
| 13 (CH2) | 69.2 |
| 14 (CH2) | 65.7 |
| 15 (C) | 180.1 |
| 1' (CH) | 104.3 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 62.7 |
