Spektraris NMR
Camelliol C acetate
Common Name: Camelliol C acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-24(2)14-12-17-26(4)19-13-18-25(3)15-10-11-16-27(5)20-22-30-28(6)21-23-31(32(30,8)9)34-29(7)33/h14-16,19,21,30-31H,10-13,17-18,20,22-23H2,1-9H3/b25-15+,26-19+,27-16+/t30-,31+/m1/s1
InChIKey: InChIKey=XKWWTGIQDLKUJO-PCANACJSSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
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 (CH) | 117.6 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 76.7 |
| 4 (C) | 36.8 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 27.4 |
| 7 (CH2) | 41.8 |
| 8 (C) | 135.2 |
| 9 (CH) | 124.7 |
| 10 (C) | 137 |
| 11 (CH2) | 28.3 |
| 12 (CH2) | 28.3 |
| 13 (CH) | 124.3 |
| 14 (C) | 134.9 |
| 15 (CH2) | 39.8 |
| 16 (CH2) | 26.7 |
| 17 (CH) | 124.3 |
| 18 (C) | 135.4 |
| 19 (CH2) | 39.8 |
| 20 (CH2) | 26.8 |
| 21 (CH) | 124.4 |
| 22 (C) | 131.3 |
| 23 (CH3) | 25.6 |
| 24 (CH3) | 18.2 |
| 25 (CH3) | 22.7 |
| 26 (CH3) | 16 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 16.1 |
| 29 (CH3) | 17.7 |
| 30 (CH3) | 25.7 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.3 |
