Spektraris NMR
Kuhistanicaol A
Common Name: Kuhistanicaol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O8/c1-13(2)25(29)12-19(31-14(3)26)23(4)11-20-24(5,33-20)10-18(21(23)25)32-22(28)15-7-8-16(27)17(9-15)30-6/h7-9,13,18-21,27,29H,10-12H2,1-6H3/t18-,19+,20-,21+,23-,24+,25+/m0/s1
InChIKey: InChIKey=QECPVEDYFWYCOV-JAVRITLLSA-N
Formula: C25H34O8
Molecular Weight: 462.533622
Exact Mass: 462.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, B., Teranishi, R., Kawazoe, K., Takaishi, Y., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K. Phytochemistry (2000) 54, 717-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) | 45.9 |
| 2 (CH) | 78.7 |
| 3 (CH2) | 37.2 |
| 4 (C) | 82.1 |
| 5 (CH) | 58 |
| 6 (CH) | 69.6 |
| 7 (CH2) | 44.3 |
| 8 (C) | 56.2 |
| 9 (CH) | 60.4 |
| 10 (CH2) | 38.6 |
| 11 (CH) | 37 |
| 12 (CH3) | 17.3 |
| 13 (CH3) | 18.5 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 14.3 |
| 1' (C) | 122.1 |
| 2' (CH) | 111.9 |
| 3' (C) | 146.5 |
| 4' (C) | 150.8 |
| 5' (CH) | 114.5 |
| 6' (CH) | 124.5 |
| 7' (C) | 166.2 |
| 2a (C) | 171.2 |
| 2b (CH3) | 21.3 |
| 3'a (CH3) | 56.2 |
