Spektraris NMR
Myrrhanone A
Common Name: Myrrhanone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-22(13-9-15-24(3)21-31)11-8-12-23(2)14-10-16-26-29(6)19-18-27(32)28(4,5)25(29)17-20-30(26,7)33/h11,14-15,25-26,31,33H,8-10,12-13,16-21H2,1-7H3/b22-11+,23-14+,24-15+/t25-,26+,29-,30+/m0/s1
InChIKey: InChIKey=DRLJOZRXEKMJSC-OYSGQVTHSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, H., Morikawa, T., Ando, S., Oominami, H., Murakami, T., Kimura, I., Yoshikawa, M. Chem Pharm Bull (2004) 52, 1200-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Polypodanes; 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) | 38.3 |
| 2 (CH2) | 33.9 |
| 3 (C) | 217 |
| 4 (C) | 47.4 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 43.7 |
| 8 (C) | 73.6 |
| 9 (CH) | 60.3 |
| 10 (C) | 38.5 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 31.2 |
| 13 (CH) | 124.8 |
| 14 (C) | 135.1 |
| 15 (CH2) | 39.6 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 124.4 |
| 18 (C) | 134.6 |
| 19 (CH2) | 39.3 |
| 20 (CH2) | 26.1 |
| 21 (CH) | 125.7 |
| 22 (C) | 134.6 |
| 23 (CH3) | 26.3 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 14.8 |
| 26 (CH3) | 23.5 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 16 |
| 29 (CH3) | 13.7 |
| 30 (CH2) | 68.6 |
