Spektraris NMR
Caranaubadiol
Common Name: Caranaubadiol
Synonyms: Caranaubadiol
CAS Registry Number:
InChI: InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22-,23+,24+,25-,26+,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=BPDZJMCTHRVRNC-UNXKSWITSA-N
Formula: C31H54O2
Molecular Weight: 458.760423
Exact Mass: 458.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cysne Jde, B., Braz-Filho, R., Assuncao, M.V., Uchoa, D.E., Silveira, E.R., Pessoa, O.D. Magn Reson Chem (2006) 44, 641-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.29 |
| 2 (CH2) | 27.77 |
| 3 (CH) | 79.16 |
| 4 (C) | 39.17 |
| 5 (CH) | 56.05 |
| 6 (CH2) | 18.47 |
| 7 (CH2) | 35.42 |
| 8 (C) | 40.55 |
| 9 (CH) | 50.84 |
| 10 (C) | 37.31 |
| 11 (CH2) | 21.75 |
| 12 (CH2) | 24.89 |
| 13 (CH) | 42.45 |
| 14 (C) | 50.58 |
| 15 (CH2) | 31.42 |
| 16 (CH2) | 27.57 |
| 17 (CH) | 49.66 |
| 18 (CH3) | 16.69 |
| 19 (CH3) | 16.4 |
| 20 (C) | 75.48 |
| 21 (CH3) | 25.75 |
| 22 (CH2) | 39.24 |
| 23 (CH2) | 29.06 |
| 24 (CH) | 41.91 |
| 25 (C) | 150.1 |
| 26 (CH2) | 109.78 |
| 27 (CH3) | 19 |
| 28 (CH3) | 28.19 |
| 29 (CH3) | 15.56 |
| 30 (CH3) | 15.56 |
| 24a (CH3) | 20.18 |
