Spektraris NMR
Camelliol B acetate
Common Name: Camelliol B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O2/c1-23(2)28(25(4)13-11-21-34-27(6)33)16-15-24(3)12-10-14-29-26(5)17-18-32(9)20-19-31(7,8)22-30(29)32/h12,25,30H,10-11,13-22H2,1-9H3/b24-12+/t25?,30-,32-/m0/s1
InChIKey: InChIKey=IOJWZXHNOWQJGH-LGADAXDESA-N
Formula: C32H54O2
Molecular Weight: 470.771159
Exact Mass: 470.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Arai, K., Kimura, Y., Koike, K., Kokke, W., Shibata, T., Nikaido, T. J Nat Prod (1999) 62, 265-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 31.7 |
| 2 (CH2) | 27 |
| 3 (CH2) | 64.9 |
| 4 (C) | 125.5 |
| 5 (C) | 135.3 |
| 6 (CH2) | 26.8 |
| 7 (CH2) | 40.2 |
| 8 (C) | 135.6 |
| 9 (CH) | 124.1 |
| 10 (CH) | 35.5 |
| 11 (CH2) | 27.1 |
| 12 (CH2) | 31.6 |
| 13 (C) | 133.6 |
| 14 (C) | 123.9 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 26.5 |
| 17 (C) | 31.4 |
| 18 (CH) | 42.2 |
| 19 (CH2) | 42.9 |
| 20 (C) | 31 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 20.1 |
| 24 (CH3) | 21 |
| 25 (CH3) | 19.6 |
| 26 (CH3) | 16 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 27 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 24.2 |
| 3a (C) | 171.2 |
| 3b (CH3) | 21 |
