Spektraris NMR
(24R*)-24-methyldammara-25-ene-3-one.
Common Name: (24R*)-24-methyldammara-25-ene-3-one.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O2/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/h21-25,33H,1,10-19H2,2-9H3/t21-,22-,23+,24+,25-,28+,29-,30-,31+/m1/s1
InChIKey: InChIKey=AYMRRJKCYKKHIV-JGDWZTRVSA-N
Formula: C31H52O2
Molecular Weight: 456.744542
Exact Mass: 456.396731
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) | 40.11 |
| 2 (CH2) | 34.33 |
| 3 (C) | 218.32 |
| 4 (C) | 47.64 |
| 5 (CH) | 55.57 |
| 6 (CH2) | 19.86 |
| 7 (CH2) | 34.75 |
| 8 (C) | 40.49 |
| 9 (CH) | 50.23 |
| 10 (C) | 37.05 |
| 11 (CH2) | 22.26 |
| 12 (CH2) | 27.78 |
| 13 (CH) | 42.58 |
| 14 (C) | 50.52 |
| 15 (CH2) | 31.42 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 49.67 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 16.24 |
| 20 (C) | 76.97 |
| 21 (CH3) | 25.81 |
| 22 (CH2) | 39.3 |
| 23 (CH2) | 29.09 |
| 24 (CH) | 41.93 |
| 25 (C) | 150.09 |
| 26 (CH2) | 109.82 |
| 27 (CH3) | 19.02 |
| 28 (CH3) | 26.91 |
| 29 (CH3) | 21.22 |
| 30 (CH3) | 15.37 |
| 24a (CH3) | 20.2 |
