Spektraris NMR
Castanin A
Common Name: Castanin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O7/c1-8-10-11(23-9(2)19)12(20)16(4)6-5-15(3,7-18)14(16)17(10,22)24-13(8)21/h7,11-12,14,20,22H,5-6H2,1-4H3/t11-,12+,14+,15-,16-,17+/m1/s1
InChIKey: InChIKey=HFVVYRNGYGIFQX-GDSAODMRSA-N
Formula: C17H22O7
Molecular Weight: 338.353041
Exact Mass: 338.136553
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Xu, G., Peng, L.Y., Li, X.L., Zhao, Y., Tu, L., Zhao, Q.S., Sun, H.D., Lu, Y., Mao, L., Zheng, Q.T. Helv Chim Acta (2005) 88, 2370-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 40.5 |
| 2 (CH2) | 34.4 |
| 3 (CH) | 203.9 |
| 4 (C) | 53.3 |
| 5 (CH) | 55.4 |
| 6 (C) | 106 |
| 7 (C) | 154.5 |
| 8 (CH) | 70.3 |
| 9 (CH) | 78.8 |
| 10 (C) | 49.5 |
| 11 (C) | 129.2 |
| 12 (C) | 170.8 |
| 13 (CH3) | 8.8 |
| 14 (CH3) | 15.7 |
| 15 (CH3) | 21 |
| 8a (C) | 171.4 |
| 8b (CH3) | 21.1 |
