Spektraris NMR
Camelliol A acetate
Common Name: Camelliol A acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-22(13-15-27-24(3)14-16-29(31(27,7)8)34-25(4)33)11-10-12-26-23(2)17-18-32(9)20-19-30(5,6)21-28(26)32/h11,14,27-29H,10,12-13,15-21H2,1-9H3/b22-11+/t27-,28+,29+,32+/m1/s1
InChIKey: InChIKey=DCXSTNUOSATPBD-BXZDUIPSSA-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) | 28.7 |
| 3 (CH) | 76.7 |
| 4 (C) | 36.8 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 27.1 |
| 7 (CH2) | 41.8 |
| 8 (C) | 135 |
| 9 (CH) | 124.9 |
| 10 (C) | 137 |
| 11 (CH2) | 27.2 |
| 12 (CH2) | 31.6 |
| 13 (C) | 133.5 |
| 14 (C) | 123.9 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 26.5 |
| 17 (C) | 31.4 |
| 18 (CH) | 42.2 |
| 19 (CH2) | 43 |
| 20 (C) | 31 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 25.5 |
| 24 (CH3) | 18 |
| 25 (CH3) | 22.7 |
| 26 (CH3) | 16 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 27 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 24.2 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.3 |
