Spektraris NMR
japonicumins C
Common Name: japonicumins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-25(2)19-8-14-30(35)16-26(3)11-7-20-27(4,12-10-23(34)29(20,6)17-31)21(26)15-18(32)24(30)28(19,5)13-9-22(25)33/h18-24,31-35H,7-17H2,1-6H3/t18-,19+,20-,21+,22-,23-,24-,26+,27+,28+,29-,30?/m1/s1
InChIKey: InChIKey=WIYNNRAMPXOSHH-VAFWOBDMSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
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) | 32 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 70.1 |
| 4 (C) | 42.5 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 46.2 |
| 8 (C) | 36.4 |
| 9 (CH) | 48.7 |
| 10 (C) | 37.2 |
| 11 (CH2) | 35.5 |
| 12 (CH) | 72.6 |
| 13 (CH) | 64.7 |
| 14 (C) | 75.1 |
| 15 (CH2) | 41.5 |
| 16 (CH2) | 18.7 |
| 17 (CH) | 49.1 |
| 18 (C) | 39.5 |
| 19 (CH2) | 33.4 |
| 20 (CH2) | 24.8 |
| 21 (CH) | 75.1 |
| 22 (C) | 37.2 |
| 23 (CH3) | 21 |
| 24 (CH2) | 64.7 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 23.1 |
| 27 (CH2) | 57.1 |
| 28 (CH3) | 15.9 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.9 |
