Spektraris NMR
japonicumins B
Common Name: japonicumins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-26(2)22(34)8-12-29(5)24-17(13-19(33)25(26)29)15-27(3)10-7-20-28(4,21(27)14-18(24)32)11-9-23(35)30(20,6)16-31/h13,18,20-25,31-32,34-35H,7-12,14-16H2,1-6H3/t18-,20-,21+,22-,23-,24-,25+,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=CJXVXNWISCRSNJ-VVMGMOPSSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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) | 25.6 |
| 3 (CH) | 70.6 |
| 4 (C) | 43.6 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 40 |
| 8 (C) | 39 |
| 9 (CH) | 52.4 |
| 10 (C) | 38.4 |
| 11 (CH2) | 33.1 |
| 12 (CH) | 71.4 |
| 13 (CH) | 63.9 |
| 14 (C) | 160.1 |
| 15 (CH) | 130.9 |
| 16 (C) | 202.8 |
| 17 (CH) | 59 |
| 18 (C) | 43.3 |
| 19 (CH2) | 30.7 |
| 20 (CH2) | 25.1 |
| 21 (CH) | 76.7 |
| 22 (C) | 37.8 |
| 23 (CH3) | 22.6 |
| 24 (CH2) | 65.8 |
| 25 (CH3) | 17 |
| 26 (CH3) | 23 |
| 27 (CH2) | 50.4 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 28 |
| 30 (CH3) | 22.5 |
