Spektraris NMR
japonicumins A
Common Name: japonicumins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-26(2)20-8-7-18-16-27(3)12-9-21-28(4,13-11-24(34)30(21,6)17-31)22(27)15-19(32)25(18)29(20,5)14-10-23(26)33/h7,19-25,31-34H,8-17H2,1-6H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m1/s1
InChIKey: InChIKey=ABXKHFPUFPNTMF-KDISCCLSSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Li, X.L., Zhao, Y., Cheng, X., Tu, L., Peng, L.Y., Xu, G., Zhao, Q.S. Helv Chim Acta (2006) 89, 1467-73
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 33.2 |
| 2 (CH2) | 24.2 |
| 3 (CH) | 70.8 |
| 4 (C) | 43.9 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 39.2 |
| 8 (C) | 38.3 |
| 9 (CH) | 51.4 |
| 10 (C) | 38 |
| 11 (CH2) | 33.2 |
| 12 (CH) | 71.6 |
| 13 (CH) | 62.8 |
| 14 (C) | 135.6 |
| 15 (CH) | 127.1 |
| 16 (CH2) | 25.7 |
| 17 (CH) | 45.2 |
| 18 (C) | 37.7 |
| 19 (CH2) | 32.7 |
| 20 (CH2) | 25.9 |
| 21 (CH) | 76.5 |
| 22 (C) | 37.9 |
| 23 (CH3) | 22.3 |
| 24 (CH2) | 65.9 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 23.5 |
| 27 (CH2) | 51.5 |
| 28 (CH3) | 16 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 28.7 |
